![C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-un, 2,3,3a,9a-tetrah ydro-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]oxazolo[3,2-a]pyrimidin-6-un, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI) Delwedd dan Sylw](https://www.csnvchem.com/uploads/C9H10N2O5-6H-Furo.png)
C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-un, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- , (2R,3 R,3aS,9aR)- (9CI, ACI)
Rhif Cofrestrfa CAS
3736-77-4
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 226.19 | - |
| Pwynt Toddi (Arbrofol) | 234-235 °C | - |
| Berwbwynt (Rhagweld) | 456.3±55.0 °C | Gwasg: 760 Torr |
| Dwysedd (Rhagweld) | 2.01 ± 0.1 g/cm3 | Tymheredd: 20 ° C;Gwasg: 760 Torr |
| pKa (Rhagweld) | 12.55±0.40 | Tymheredd Mwyaf Asidig: 25 °C |
GWênau 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+,8-/m1/s1
Allwedd InChI
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Enwau Eraill ar 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-un (ACI);6H-Furo[2′, 3′:4,5]oxazolo[3,2-a]pyrimidin-6-un, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI , 7CI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-un, 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-un, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, stereoisomer (8CI);2,2′ -Anhydro(1- β -D-arabinofuranosyl)uracil;2,2′ -Anhydro-1- β -D-arabino-furanosyluracil;2,2′ -Anhydro-N1-(β -D-arabinofuranosyl)uracil;2,2′ -Anhydrouridine;2,2′ -O-Cyclouridine;NSC 157148;O2,2′ -Anhydrouridine;O2,2′ -Cyclouridine;β -D-2′,2-O-Cycloarabinouridine
Eiddo ar gael
Optegol a Gwasgaru
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Pŵer Rotatory Optegol | -19 deg | Hydoddydd: Methanol;λ: 589.3 nm;Tymheredd: 26 °C | (1) CAS |
(1) Codington, John F.;Cylchgrawn Cymdeithas Cemegol America, (1961), 83, 5030-1, CAPlus
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ymdoddbwynt | 250-253 ° C | (1) CAS | |
| Ymdoddbwynt | 246 °C | Hydoddydd: Ethanol;Isopropanol | (2) CAS |
| Ymdoddbwynt | 242-245 °C | (3) CAS | |
| Ymdoddbwynt | 242-243 °C | (4) CAS | |
| Ymdoddbwynt | 236-238 ° C (dadelfennu) | (5) CAS | |
| Ymdoddbwynt | 234 °C | (6) CAS | |
| Ymdoddbwynt | 234-235 °C | (7) CAS | |
| Ymdoddbwynt | 233-234 ° C (dadelfennu) | Hydoddydd: Methanol | (8) CAS |
| Ymdoddbwynt | Gweler Testun Llawn | (9) CAS |
(1) Lin, Kun-I.;Cyfnodolyn y Gymdeithas Cemegol Tsieineaidd (Taipei, Taiwan), (2007), 54(2), 563-568, CAPlus
(2) Takatsuki, Ken-ichi;Niwcleosidau, Niwcleotidau ac Asidau Niwcleig, (2006), 25(7), 719-734, CAplws
(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, CAplws
(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, CAPplus
(9) Codington, John F.;Cylchgrawn Cymdeithas Cemegol America, (1961), 83, 5030-1, CAPlus
Sbectra ar gael
1 H NMR
13 C NMR
IR
Sbectra ar gael
Offeren
Eiddo ar gael
Biolegol
Cemegol
Dwysedd
Lipinski
Strwythur Cysylltiedig
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Bio-ganolbwyntio | 1.0 | pH 1;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.0 | pH 2;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.0 | pH 3;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.0 | pH 4;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.0 | pH 5;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.0 | pH 6;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.0 | pH 7;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.0 | pH 8;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.0 | pH 9;Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.0 | pH 10;Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (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 Torfol | 4.7 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 g/L | pH 1;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 g/L | pH 2;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 g/L | pH 3;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 g/L | pH 4;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 g/L | pH 5;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 g/L | pH 6;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 g/L | pH 7;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 g/L | pH 8;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 g/L | pH 9;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 g/L | pH 10;Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.7 g/L | Dŵr heb ei glustogi 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 glustogi 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 Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 2.01 ± 0.1 g/cm3 | Tymheredd: 20 ° C;Gwasg: 760 Torr | (1) ACD |
| Cyfrol Molar | 112.3±7.0 cm3/mol | Tymheredd: 20 ° C;Gwasg: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroadwy | 3 | (1) ACD | |
| H Derbynwyr | 7 | (1) ACD | |
| H Rhoddwyr | 2 | (1) ACD | |
| H Swm Rhoddwr/Derbynnydd | 9 | (1) ACD | |
| logP | -0.906±0.555 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 226.19 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Ffynhonnell Cyflwr |
| Arwynebedd Pegynol | 91.6 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Berwbwynt | 456.3±55.0 °C | Gwasg: 760 Torr | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Enthalpi o 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 Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Sbectra ar gael
1 H NMR
13 C NMR
| Ffynhonnell Datganiad Perygl Cod | |
| H302 Niweidiol os caiff ei lyncu | Dosbarthu a Labelu'r Asiantaeth Cemegol Ewropeaidd (ECHA). Rhestr - Dosbarthiad a labelu hysbysedig - hysbysiadau mwyaf cyffredin, Asiantaeth Cemegol Ewropeaidd (ECHA) Rhestr Dosbarthu a Labelu - Dosbarthiad a labelu hysbysedig - hysbysiadau mwyaf difrifol |
![C17H19N3O6 Thymidin, α -oxo- α -[(phenylmethyl)amino]- (ACI)](https://www.csnvchem.com/uploads/C17H19N3O6-Thymidine-300x300.png)
![C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-un, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)- 7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)](https://www.csnvchem.com/uploads/C10H12N2O5-6H-Furo-300x300.jpg)
