C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)

nghynnyrch

C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)

Gwybodaeth Sylfaenol:


Manylion y Cynnyrch

Tagiau cynnyrch

Manylion Sylweddau

Rhif Cofrestrfa CAS

22423-26-3

Priodweddau Ffisegol Allweddol Gwerthfawrogom Cyflyrasoch
Pwysau moleciwlaidd 240.21 -
Toddi (arbrofol) 218 ° C. Toddydd: ethanol; Isopropanol
Berwbwynt (a ragwelir) 452.0 ± 55.0 ° C. Gwasg: 760 Torr
Dwysedd (a ragwelir) 1.88 ± 0.1 g/cm3 Temp: 20 ° C; Gwasg: 760 Torr
PKA (a ragwelir) 12.56 ± 0.60 Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwenau canonaidd

O = C1n = C2OC3C (O) C (OC3N2C = C1C) CO

Gwenau 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/h2,5-7,9,9,13-14h, 3h2,1h3/t5-, 6-, 9-/m, 9-

Allwedd inchi

Wlloaucnumyoqi-jagxhnfqsa-n

17 ENW arall 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-un (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-Furo

[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 Hawliedig DNA; 12: PN: US20040005565 Tudalen: 17- 22 Hawliedig DNA; 12: PN: US20040005570 Tudalen: 18 Hawliedig DNA; 12: PN: US20040006029 Tudalen: 21 Hawliedig DNA; 12: PN: US20040014051 Tudalen: 21 Hawliedig DNA; 1: PN: WO20050 06958 Tudalen: 59 Hawliedig DNA; 2,2 ′ -Hydro (1- β -D-arabinofuranosyl)-5-methyluracil; 3: PN: WO2005007825 Tudalen: 59 Hawliedig DNA; 84: PN: US20040005707 Tudalen: 18 Hawliedig DNA; 9: PN: US20040014048 Tudalen: 19 Hawliedig DNA; 9: PN: US20040014049 Tudalen: 19

hawlio DNA;O2,2 ′ -Hydro-5-methyluridine; O2,2 ′ -Hydro-5-methyluridine; TK 112690

Eiddo arbrofol

Eiddo ar gael
Thermol

Thermol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Pwynt toddi 240-242 ° C. (1) CAS
Pwynt toddi 218 ° C. Toddydd: ethanol; Isopropanol (2) CAS
Pwynt toddi Gweler Testun Llawn (3) CAS
Pwynt toddi Gweler Testun Llawn (4) CAS

(1) Oliveira, Maralise P.; Cyfnodolyn Cymdeithas Cemegol Brasil, (2015), 26 (4), 816-821, Caplus

(2) Takatsuki, Ken-idd; 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

Sbectra arbrofol

Sbectra ar gael
1 h nmr
13 C NMR
Hetero nmr
Torfol

Eiddo a ragwelir

Eiddo ar gael
Biolegol
Gemegol
Ddwysedd
Lipinski
Strwythur yn gysylltiedig
Thermol

Biolegol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Ffactor Bio -ganolbwynt 1.0 Ph 1; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 2; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 3; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 4; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 5; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 6; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 7; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 8; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 9; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.0 Ph 10; TEMP: 25 ° C. (1) ACD

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Gemegol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Koc 12.9 Ph 1; TEMP: 25 ° C. (1) ACD
Koc 12.9 Ph 2; TEMP: 25 ° C. (1) ACD
Koc 12.9 Ph 3; TEMP: 25 ° C. (1) ACD
Koc 12.9 Ph 4; TEMP: 25 ° C. (1) ACD
Koc 12.9 Ph 5; TEMP: 25 ° C. (1) ACD
Koc 12.9 Ph 6; TEMP: 25 ° C. (1) ACD
Koc 12.9 Ph 7; TEMP: 25 ° C. (1) ACD
Koc 12.9 Ph 8; TEMP: 25 ° C. (1) ACD
Koc 12.9 Ph 9; TEMP: 25 ° C. (1) ACD
Koc 12.9 Ph 10; TEMP: 25 ° C. (1) ACD
log -0.49 Ph 1; TEMP: 25 ° C. (1) ACD
log -0.49 Ph 2; TEMP: 25 ° C. (1) ACD
log -0.49 Ph 3; TEMP: 25 ° C. (1) ACD
log -0.49 Ph 4; TEMP: 25 ° C. (1) ACD
log -0.49 Ph 5; TEMP: 25 ° C. (1) ACD
log -0.49 Ph 6; TEMP: 25 ° C. (1) ACD
log -0.49 Ph 7; TEMP: 25 ° C. (1) ACD
log -0.49 Ph 8; TEMP: 25 ° C. (1) ACD
log -0.49 Ph 9; TEMP: 25 ° C. (1) ACD
log -0.49 Ph 10; TEMP: 25 ° C. (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
logio -0.491 ± 0.556 TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​torfol 3.1 g/l TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 g/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 g/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 g/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 g/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 g/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 g/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 g/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 g/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 g/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 g/l Ph 10; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 g/l Dŵr heb ei drin pH 6.94; TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​molar 0.013 mol/l TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.013 mol/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.013 mol/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.013 mol/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.013 mol/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.013 mol/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.013 mol/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.013 mol/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.013 mol/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.013 mol/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.013 mol/l Ph 10; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 0.013 mol/l Dŵr heb ei drin pH 6.94; TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 240.21    
PKA 12.56 ± 0.60 Mwyaf Temp Asidig: 25 ° C. (1) ACD
PKA -4.36 ± 0.60 Temp mwyaf sylfaenol: 25 ° C. (1) ACD
Pwysau anwedd 4.54 x 10-10 Torr TEMP: 25 ° C. (1) ACD

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Ddwysedd 1.88 ± 0.1 g/cm3 Temp: 20 ° C; Gwasg: 760 Torr (1) ACD
Cyfaint molar 127.5 ± 7.0 cm3/mol Temp: 20 ° C; Gwasg: 760 Torr (1) ACD

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Lipinski

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Bondiau rotatable yn rhydd 3   (1) ACD
H Derbynyddion 7   (1) ACD
H rhoddwyr 2   (1) ACD
H rhoddwr/derbynnydd swm 9   (1) ACD
logio -0.491 ± 0.556 TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 240.21    

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Strwythur yn gysylltiedig

Eiddo Gwerthfawrogom Ffynhonnell Cyflwr
Arwynebedd pegynol 91.6 A2 (1) ACD

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Thermol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Berwbwyntiau 452.0 ± 55.0 ° C. Gwasg: 760 Torr (1) ACD
Enthalpi anweddiad 82.04 ± 6.0 kj/mol Gwasg: 760 Torr (1) ACD
Phwynt fflach 227.2 ± 31.5 ° C.   (1) ACD

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Sbectra a ragwelir

Sbectra ar gael ⁿ
1 h nmr
13 C NMR


  • Blaenorol:
  • Nesaf:

  • Ysgrifennwch eich neges yma a'i hanfon atom