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)

cynnyrch

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)

Gwybodaeth Sylfaenol:


Manylion Cynnyrch

Tagiau Cynnyrch

Manylion Sylwedd

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

Enwau a Dynodwyr Eraill

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

Priodweddau Arbrofol

Eiddo ar gael
Thermol

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 Arbrofol

Sbectra ar gael
1 H NMR
13 C NMR
Hetero NMR
Offeren

Priodweddau Rhagfynegedig

Eiddo ar gael
Biolegol
Cemegol
Dwysedd
Lipinski
Strwythur Cysylltiedig
Thermol

Biolegol

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)

Cemegol

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)

Lipinski

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)

Strwythur Cysylltiedig

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)

Thermol

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)

Sbectr a Ragwelir

Sbectra ar gael ⁿ
1 H NMR
13 C NMR


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