![C9H10N2O5 6H-Ffuro[2′,3′:4,5]ocsasolo[3,2-a]pyrimidin-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, (2R,3 R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C9H10N2O5 6H-Furo[2′,3′:4,5]ocsasolo[3,2-a]pyrimidin-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, (2R,3 R,3aS,9aR)- (9CI, ACI) Delwedd Nodwedd](https://www.csnvchem.com/uploads/C9H10N2O5-6H-Furo.png)
C9H10N2O5 6H-Ffuro[2′,3′:4,5]ocsasolo[3,2-a]pyrimidin-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, (2R,3 R,3aS,9aR)- (9CI, ACI)
Rhif Cofrestru CAS
3736-77-4
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 226.19 | - |
| Pwynt Toddi (Arbrofol) | 234-235 °C | - |
| Pwynt Berwi (Rhagfynegedig) | 456.3±55.0 °C | Gwasg: 760 Torr |
| Dwysedd (Rhagfynegedig) | 2.01±0.1 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr |
| pKa (Rhagfynegedig) | 12.55±0.40 | Tymheredd Mwyaf Asidig: 25 °C |
GWENAU Canonaidd
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
GWÊNAU Isomerig
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@@H]1CO)[H])[H]
InChI
InChI= 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7+,
Allwedd InChI
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Enw Eraill ar gyfer y Sylwedd hwn
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-6H-furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-on (ACI); 6H-Furo[2′, 3′:4,5]oxazolo[3,2-a]pyrimidin-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI, 7CI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI); 6H- Ffwro[2′,3′:4,5]oxazolo[3,2-a]
pyrimidin-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, stereoisomer (8CI); 2,2′ -Anhydro(1-β-D-arabinofuranosyl)wracil; 2,2′ -Anhydro-1-β-D-arabino-furanosylwracil; 2,2′ -Anhydro-N1-(β-D-arabinofuranosyl)wracil; 2,2′ -Anhydrowridin; 2,2′ -O-Cyclwridin; NSC 157148; O2,2′ -Anhydrowridin; O2,2′ -Cyclwridin; β -D-2′,2-O-Cyclwrabinwridin
Eiddo sydd ar gael
Optegol a Gwasgariad
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Pŵer Cylchdroi Optegol | -19 gradd | Toddydd: Methanol; λ: 589.3 nm; Tymheredd: 26 °C | (1) CAS |
(1) Codington, John F.; Cylchgrawn Cymdeithas Gemegol America, (1961), 83, 5030-1, CAplus
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Pwynt Toddi | 250-253 °C | (1) CAS | |
| Pwynt Toddi | 246°C | Toddydd: Ethanol; Isopropanol | (2) CAS |
| Pwynt Toddi | 242-245 °C | (3) CAS | |
| Pwynt Toddi | 242-243 °C | (4) CAS | |
| Pwynt Toddi | 236-238 °C (dadelfennu) | (5) CAS | |
| Pwynt Toddi | 234°C | (6) CAS | |
| Pwynt Toddi | 234-235 °C | (7) CAS | |
| Pwynt Toddi | 233-234 °C (dadelfennu) | Toddydd: Methanol | (8) CAS |
| Pwynt Toddi | Gweler y Testun Llawn | (9) CAS |
(1) Lin, Kun-I.; Cylchgrawn Cymdeithas Gemegol Tsieina (Taipei, Taiwan), (2007), 54(2), 563-568, CAplus
(2) Takatsuki, Ken-ichi; Niwcleosidau, Niwcleotidau ac Asidau Niwcleig, (2006), 25(7), 719-734, CAplus
(3) Wnuk, Stanislaw F.; Journal of Organic Chemistry, (2002), 67(6), 1816-1819, CAPlus
(4) Szlenkier, Maurycy; Niwcleosidau, Niwcleotidau ac Asidau Niwcleig, (2016), 35(8), 410-425, CAplus
(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus
(6) Krizmanic, Irena; Tetrahedron, (2003), 59(23), 4047-4057, CAPplus
(7) Brown, DM; Cylchgrawn y Gymdeithas Gemegol, (1958), 3035-8, CAplus
(8) Li, Heting; Cyfathrebu Synthetig, (2006), 36(14), 1933-1940, CAplus
(9) Codington, John F.; Cylchgrawn Cymdeithas Gemegol America, (1961), 83, 5030-1, CAplus
Spectra sydd ar gael
1H NMR
13C NMR
IR
Spectra sydd ar gael
Màs
Eiddo sydd ar gael
Biolegol
Cemegol
Dwysedd
Lipinski
Cysylltiedig â Strwythur
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Biogrynodiad | 1.0 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Biogrynodiad | 1.0 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 7.66 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 7.66 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 7.66 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 7.66 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 7.66 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 7.66 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 7.66 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Koc | 7.66 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 7.66 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 7.64 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | -0.91 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | -0.91 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | -0.91 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | -0.91 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | -0.91 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | -0.91 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | -0.91 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | -0.91 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | -0.91 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | -0.91 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | -0.906±0.555 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Màs | 4.7 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 4.7 g/L | Dŵr Heb ei Gluffio pH 6.91; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Molar | 0.021 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.021 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.021 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.021 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.021 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.021 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.021 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 0.021 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.021 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.021 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.021 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.021 mol/L | Dŵr Heb ei Gluffio pH 6.91; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 226.19 | ||
| pKa | 12.55±0.40 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | -4.68±0.60 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
| Pwysedd Anwedd | 3.04 x 10-10 Torr | Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 2.01±0.1 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
| Cyfaint Molar | 112.3±7.0 cm3/mol | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroi'n Rhydd | 3 | (1) ACD | |
| Derbynyddion H | 7 | (1) ACD | |
| Rhoddwyr H | 2 | (1) ACD | |
| Swm Rhoddwr/Derbynydd H | 9 | (1) ACD | |
| logP | -0.906±0.555 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 226.19 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Ffynhonnell y Cyflwr |
| Arwynebedd Wyneb Pegynol | 91.6 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Pwynt Berwi | 456.3±55.0 °C | Gwasg: 760 Torr | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Enthalpi Anweddu | 82.62±6.0 kJ/mol | Gwasg: 760 Torr | (1) ACD |
| Pwynt Fflach | 229.8±31.5 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra sydd ar gael
1H NMR
13C NMR
| Côd Datganiad Perygl Ffynhonnell | |
| H302 Niweidiol os caiff ei lyncu | Dosbarthu a Labelu Asiantaeth Gemegol Ewrop (ECHA) Rhestr - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf cyffredin, Asiantaeth Gemegol Ewrop (ECHA) Rhestr Dosbarthu a Labelu - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf difrifol |
![C17H19N3O6 Thymidin, α-ocso-α-[(ffenylmethyl)amino]- (ACI)](https://www.csnvchem.com/uploads/C17H19N3O6-Thymidine-300x300.png)
![C21H21N3O6 Thymidin, α – [(1-naffthalenylmethyl)amino]-α -ocso- (ACI)](https://www.csnvchem.com/uploads/C21H21N3O6-Thymidine-300x300.png)
![C10H12N2O5 6H-Ffuro[2′,3′:4,5]ocsasolo[3,2-a]pyrimidin-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)](https://www.csnvchem.com/uploads/C10H12N2O5-6H-Furo-300x300.jpg)
