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)
Rhif Cofrestru CAS
22423-26-3
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 240.21 | - |
| Pwynt Toddi (Arbrofol) | 218°C | Toddydd: Ethanol; Isopropanol |
| Pwynt Berwi (Rhagfynegedig) | 452.0±55.0 °C | Gwasg: 760 Torr |
| Dwysedd (Rhagfynegedig) | 1.88±0.1 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr |
| pKa (Rhagfynegedig) | 12.56±0.60 | Tymheredd Mwyaf Asidig: 25 °C |
GWENAU Canonaidd
O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO
GWÊNAU Isomerig
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C(C)=C3)(O[C@@H]1CO)[H])[H]
InChI
InChI= 1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5-7,9,13-14H,3H2,1H3/t5-,6-,7+,9-/m1/s1
Allwedd InChI
WLLOAUCNUMYOQI-JAGXHNFQSA-N
17 Enw Eraill ar gyfer y Sylwedd hwn
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-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)-7-methyl- (6CI, 7CI, 8CI); 6H-Furo
[2′,3′:4,5]ocsasolo[3,2-a]pyrimidin-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI);
11: PN: US20040014699 TUDALEN: 18 DNA hawliedig; 12: PN: US20040005565 TUDALEN: 17- 22 DNA hawliedig; 12: PN: US20040005570 TUDALEN: 18 DNA hawliedig; 12: PN: US20040006029 TUDALEN: 21 DNA hawliedig; 12: PN: US20040014051 TUDALEN: 21 DNA hawliedig; 1: PN: WO20050 06958 TUDALEN: 59 DNA hawliedig; 2,2′ -Anhydro(1- β -D-arabinofuranosyl)- 5-methyluracil; 3: PN: WO2005007825 TUDALEN: 59 DNA hawliedig; 84: PN: US20040005707 TUDALEN: 18 DNA hawliedig; 9: PN: US20040014048 TUDALEN: 19 DNA hawliedig; 9: PN: US20040014049 TUDALEN: 19
DNA honedig;O2,2′-Anhydro-5-methylwridin; O2,2′-Anhydro-5-methylwridin; TK 112690
Eiddo sydd ar gael
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Pwynt Toddi | 240-242 °C | (1) CAS | |
| Pwynt Toddi | 218°C | Toddydd: Ethanol; Isopropanol | (2) CAS |
| Pwynt Toddi | Gweler y Testun Llawn | (3) CAS | |
| Pwynt Toddi | Gweler y Testun Llawn | (4) CAS |
(1) Oliveira, Maralise P.; Cylchgrawn Cymdeithas Gemegol Brasil, (2015), 26(4), 816-821, CAplus
(2) Takatsuki, Ken-ichi; Niwcleosidau, Niwcleotidau ac Asidau Niwcleig, (2006), 25(7), 719-734, CAplus
(3) Manoharan, Muthiah; US20030088079, A1, 2003, CAplus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAplus
Spectra ar gael
1H NMR
13C NMR
NMR Hetero
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 | 12.9 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.9 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.9 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.9 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.9 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.9 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.9 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.9 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.9 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 12.9 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | -0.49 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | -0.49 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | -0.49 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | -0.49 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | -0.49 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | -0.49 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | -0.49 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | -0.49 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | -0.49 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | -0.49 | pH 10; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| logP | -0.491±0.556 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Màs | 3.1 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.1 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.1 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.1 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.1 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.1 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.1 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.1 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.1 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.1 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.1 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Màs | 3.1 g/L | Dŵr Heb ei Gluffio pH 6.94; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Molar | 0.013 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | Dŵr Heb ei Gluffio pH 6.94; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 240.21 | ||
| pKa | 12.56±0.60 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | -4.36±0.60 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
| Pwysedd Anwedd | 4.54 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 | 1.88±0.1 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
| Cyfaint Molar | 127.5±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 | -0.491±0.556 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 240.21 |
(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 | 452.0±55.0 °C | Gwasg: 760 Torr | (1) ACD |
| Enthalpi Anweddu | 82.04±6.0 kJ/mol | Gwasg: 760 Torr | (1) ACD |
| Pwynt Fflach | 227.2±31.5 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar gael ⁿ
1H NMR
13C NMR
![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)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C10H12N2O5 6H-Furo[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) Delwedd Nodwedd](https://www.csnvchem.com/uploads/C10H12N2O5-6H-Furo.jpg)
![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)

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![C21H21N3O6 Thymidin, α – [(1-naffthalenylmethyl)amino]-α -ocso- (ACI)](https://www.csnvchem.com/uploads/C21H21N3O6-Thymidine-300x300.png)
