C10H12N2O5 6H-Furo[2',3':4,5]oksazolo[3,2-a]pirimidin-6-bir, 2,3,3a,9a-tetra ydro-3-gidroksi-2-(gidroksimetil)- 7-metil-, (2R,3 R,3aS,9aR)- (9CI, ACI)
CAS ro'yxatga olish raqami
22423-26-3
Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
Molekulyar og'irlik | 240.21 | - |
Erish nuqtasi (eksperimental) | 218 °C | Erituvchi: etanol; Izopropanol |
Qaynoq nuqtasi (taxmin qilingan) | 452,0±55,0 °C | Matbuot: 760 Torr |
Zichlik (taxmin qilingan) | 1,88±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr |
pKa (taxmin qilingan) | 12,56±0,60 | Eng kislotali harorat: 25 °C |
Kanonik tabassum
O=C1N=C2OC3C(O)C(OC3N2C=C1C)CO
Izomerik tabassum
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
InChI kaliti
WLLOAUCNUMYOQI-JAGXHNFQSA-N
17 Ushbu moddaning boshqa nomlari
(2R,3 R,3aS,9aR) -2,3,3a,9a-Tetrahidro-3-gidroksi-2-(gidroksimetil)-7-metil-6H-furo[2′,3′:4,5]oxazolo[3,2-a]pirimidin-6-bir (ACI);
6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pirimidin-6-bir, 2,3,3a,9a-tetrahidro-3-gidroksi-2-(gidroksimetil)-7-metil- (6CI, 7CI, 8CI); 6H- Furo
[2′,3′:4,5]oxazolo[3,2-a]pirimidin-6-bir, 2,3,3a,9a-tetrahidro-3-gidroksi-2-(gidroksimetil)-7-metil-, [2R-(2a,3b,3ab,9ab)]- (ZCI);
11: PN: US20040014699 PAGE: 18 da'vo qilingan DNK; 12: PN: US20040005565 PAGE: 17- 22 da'vo qilingan DNK; 12: PN: US20040005570 PAGE: 18 da'vo qilingan DNK; 12: PN: US20040006029 PAGE: 21 da'vo qilingan DNK; 12: PN: US20040014051 PAGE: 21 da'vo qilingan DNK; 1: PN: WO20050 06958 PAGE: 59 da'vo qilingan DNK; 2,2' -Anhidro(1- b -D-arabinofuranosil)- 5-metiluratsil; 3: PN: WO2005007825 PAGE: 59 da'vo qilingan DNK; 84: PN: US20040005707 PAGE: 18 da'vo qilingan DNK; 9: PN: US20040014048 PAGE: 19 da'vo qilingan DNK; 9: PN: US20040014049 SAHİF: 19
da'vo qilingan DNK;O2,2' -Anhidro-5-metiluridin; O2,2' -Anhidro-5-metiluridin; TK 112690
Xususiyatlari mavjud
Termal
Mulk | Qiymat | Vaziyat | Manba |
Erish nuqtasi | 240-242 ° S | (1) CAS | |
Erish nuqtasi | 218 °C | Erituvchi: etanol; Izopropanol | (2) CAS |
Erish nuqtasi | Toʻliq matnni koʻring | (3) CAS | |
Erish nuqtasi | Toʻliq matnni koʻring | (4) CAS |
(1) Oliveyra, Maralise P.; Braziliya kimyo jamiyati jurnali, (2015), 26(4), 816-821, CAplus
(2) Takatsuki, Ken-ichi; Nukleozidlar, nukleotidlar va nuklein kislotalar, (2006), 25(7), 719-734, CAplus
(3) Manoxaran, Mutiya; US20030088079, A1, 2003, CAplus
(4) Miraglia, Loren J.; WO2003048315, A2, 2003, CAplus
Spektrlar mavjud
1H NMR
13C NMR
Hetero NMR
Massa
Xususiyatlari mavjud
Biologik
Kimyoviy
Zichlik
Lipinskiy
Tuzilishi bilan bog'liq
Termal
Mulk | Qiymat | Vaziyat | Manba |
Biokonsentratsiya omili | 1.0 | pH 1; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1.0 | pH 2; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1.0 | pH 3; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1.0 | pH 4; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1.0 | pH 5; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1.0 | pH 6; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1.0 | pH 7; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1.0 | pH 8; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1.0 | pH 9; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1.0 | pH 10; Harorat: 25 °C | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Mulk | Qiymat | Vaziyat | Manba |
Koch | 12.9 | pH 1; Harorat: 25 °C | (1) ACD |
Koch | 12.9 | pH 2; Harorat: 25 °C | (1) ACD |
Koch | 12.9 | pH 3; Harorat: 25 °C | (1) ACD |
Koch | 12.9 | pH 4; Harorat: 25 °C | (1) ACD |
Koch | 12.9 | pH 5; Harorat: 25 °C | (1) ACD |
Koch | 12.9 | pH 6; Harorat: 25 °C | (1) ACD |
Koch | 12.9 | pH 7; Harorat: 25 °C | (1) ACD |
Koch | 12.9 | pH 8; Harorat: 25 °C | (1) ACD |
Koch | 12.9 | pH 9; Harorat: 25 °C | (1) ACD |
Koch | 12.9 | pH 10; Harorat: 25 °C | (1) ACD |
logD | -0,49 | pH 1; Harorat: 25 °C | (1) ACD |
logD | -0,49 | pH 2; Harorat: 25 °C | (1) ACD |
logD | -0,49 | pH 3; Harorat: 25 °C | (1) ACD |
logD | -0,49 | pH 4; Harorat: 25 °C | (1) ACD |
logD | -0,49 | pH 5; Harorat: 25 °C | (1) ACD |
logD | -0,49 | pH 6; Harorat: 25 °C | (1) ACD |
logD | -0,49 | pH 7; Harorat: 25 °C | (1) ACD |
logD | -0,49 | pH 8; Harorat: 25 °C | (1) ACD |
logD | -0,49 | pH 9; Harorat: 25 °C | (1) ACD |
logD | -0,49 | pH 10; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
logP | -0,491±0,556 | Harorat: 25 °C | (1) ACD |
Massaning ichki eruvchanligi | 3,1 g/l | Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,1 g/l | pH 1; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,1 g/l | pH 2; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,1 g/l | pH 3; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,1 g/l | pH 4; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,1 g/l | pH 5; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,1 g/l | pH 6; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,1 g/l | pH 7; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,1 g/l | pH 8; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,1 g/l | pH 9; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,1 g/l | pH 10; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,1 g/l | Bufersiz suv pH 6,94; Harorat: 25 °C | (1) ACD |
Molar ichki eruvchanligi | 0,013 mol/l | Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,013 mol/l | pH 1; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,013 mol/l | pH 2; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,013 mol/l | pH 3; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,013 mol/l | pH 4; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,013 mol/l | pH 5; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,013 mol/l | pH 6; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,013 mol/l | pH 7; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,013 mol/l | pH 8; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,013 mol/l | pH 9; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,013 mol/l | pH 10; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,013 mol/l | Bufersiz suv pH 6,94; Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 240.21 | ||
pKa | 12,56±0,60 | Eng kislotali harorat: 25 °C | (1) ACD |
pKa | -4,36±0,60 | Eng asosiy harorat: 25 °C | (1) ACD |
Bug 'bosimi | 4,54 x 10-10 Torr | Harorat: 25 °C | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Mulk | Qiymat | Vaziyat | Manba |
Zichlik | 1,88±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
Molyar hajm | 127,5±7,0 sm3/mol | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Mulk | Qiymat | Vaziyat | Manba |
Erkin aylanadigan obligatsiyalar | 3 | (1) ACD | |
H qabul qiluvchilar | 7 | (1) ACD | |
H Donorlar | 2 | (1) ACD | |
H Donor/akseptor summasi | 9 | (1) ACD | |
logP | -0,491±0,556 | Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 240.21 |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Mulk | Qiymat | Vaziyat manbai |
Qutb yuzasi maydoni | 91,6 A2 | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Mulk | Qiymat | Vaziyat | Manba |
Qaynash nuqtasi | 452,0±55,0 °C | Matbuot: 760 Torr | (1) ACD |
Bug'lanish entalpiyasi | 82,04±6,0 kJ/mol | Matbuot: 760 Torr | (1) ACD |
O't olish nuqtasi | 227,2±31,5 °C | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Spektrlar mavjud
1H NMR
13C NMR