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)
Rhif Cofrestrfa CAS
22423-26-3
Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
Pwysau Moleciwlaidd | 240.21 | - |
Pwynt Toddi (Arbrofol) | 218 °C | Hydoddydd: Ethanol; Isopropanol |
Berwbwynt (Rhagweld) | 452.0±55.0 °C | Gwasg: 760 Torr |
Dwysedd (Rhagweld) | 1.88 ± 0.1 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr |
pKa (Rhagweld) | 12.56±0.60 | Tymheredd Mwyaf Asidig: 25 °C |
GWênau 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 Enwau Eraill ar 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-one (ACI);
6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-un, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl- (6CI, 7CI, 8CI); 6H-Fwro
[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-un, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI);
11: PN: US20040014699 TUDALEN: 18 hawlio DNA; 12: PN: US20040005565 TUDALEN: 17- 22 hawlio DNA; 12: PN: US20040005570 TUDALEN: 18 hawlio DNA; 12: PN: US20040006029 TUDALEN: 21 hawlio DNA; 12: PN: US20040014051 TUDALEN: 21 hawlio DNA; 1: PN: WO20050 06958 TUDALEN: 59 hawlio DNA; 2,2′ -Anhydro(1- β -D-arabinofuranosyl)- 5-methyluracil; 3: PN: WO2005007825 TUDALEN: 59 hawlio DNA; 84: PN: US20040005707 TUDALEN: 18 hawlio DNA; 9: PN: US20040014048 TUDALEN: 19 hawlio DNA; 9: PN: US20040014049 TUDALEN: 19
DNA honedig;O2,2′ -Anhydro-5-methyluridine; O2,2′ -Anhydro-5-methyluridine; TK 112690
Eiddo ar gael
Thermol
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Ymdoddbwynt | 240-242 °C | (1) CAS | |
Ymdoddbwynt | 218 °C | Hydoddydd: Ethanol; Isopropanol | (2) CAS |
Ymdoddbwynt | Gweler Testun Llawn | (3) CAS | |
Ymdoddbwynt | Gweler Testun Llawn | (4) CAS |
(1) Oliveira, Maralise P.; Cylchgrawn Cymdeithas Cemegol Brasil, (2015), 26(4), 816-821, CAPlus
(2) Takatsuki, Ken-ichi; Niwcleosidau, Niwcleotidau ac Asidau Niwcleig, (2006), 25(7), 719-734, CAplws
(3) Manoharan, Muthiah; US20030088079, A1, 2003, CAplus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAplus
Sbectra ar gael
1 H NMR
13 C NMR
Hetero NMR
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 | 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 Torfol | 3.1 g/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.1 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.1 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.1 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.1 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.1 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.1 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.1 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.1 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.1 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.1 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Torfol | 3.1 g/L | Dŵr heb ei glustogi 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 glustogi 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 Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Dwysedd | 1.88 ± 0.1 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
Cyfrol Molar | 127.5±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 | -0.491±0.556 | Tymheredd: 25 °C | (1) ACD |
Pwysau Moleciwlaidd | 240.21 |
(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 | 452.0±55.0 °C | Gwasg: 760 Torr | (1) ACD |
Enthalpi o 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 Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Sbectra ar gael ⁿ
1 H NMR
13 C NMR