C9H10N2O5 6H-Furo[2',3':4,5]oksazolo[3,2-a]pirimidin-6-bir, 2,3,3a,9a-tetra ydro-3-gidroksi-2-(gidroksimetil)- , (2R,3 R,3aS,9aR)- (9CI, ACI)
CAS ro'yxatga olish raqami
3736-77-4
Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
Molekulyar og'irlik | 226.19 | - |
Erish nuqtasi (eksperimental) | 234-235 ° S gacha | - |
Qaynoq nuqtasi (taxmin qilingan) | 456,3±55,0 °C | Matbuot: 760 Torr |
Zichlik (taxmin qilingan) | 2,01±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr |
pKa (taxmin qilingan) | 12,55±0,40 | Eng kislotali harorat: 25 °C |
Kanonik tabassum
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
Izomerik tabassum
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@@H]1CO)[H])[H]
InChI
InChI= 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4, 6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
InChI kaliti
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Ushbu moddaning boshqa nomlari
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahidro-3-gidroksi-2-(gidroksimetil)-6H-furo[2′,3′:4,5]oksazolo[3,2 -a]pirimidin-6-bir (ACI); 6H-Furo[2′, 3′:4,5]oksazolo[3,2-a]pirimidin-6-bir, 2,3,3a,9a-tetrahidro-3-gidroksi-2-(gidroksimetil)- (6CI) , 7CI); 6H-Furo[2',3':4,5]oksazolo[3,2-a] pirimidin-6-bir, 2,3,3a,9a-tetrahidro-3-gidroksi-2-(gidroksimetil)-, [ 2R-(2a,3b,3ab,9ab)]- (ZCI); 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]
pirimidin-6-bir, 2,3,3a,9a-tetrahidro-3-gidroksi-2-(gidroksimetil)-, stereoizomer (8CI); 2,2' -Angidro(1- b -D-arabinofuranosil)urasil; 2,2' -Anhidro-1- b -D-arabino-furanosilurasil; 2,2' -Anhidro-N1-(b -D-arabinofuranosil)urasil; 2,2' - anhidroridin; 2,2' -O-sikloridin; NSC 157148; O2,2' -anhidroridin; O2,2' - sikloridin; b -D-2',2-O-Sikloarabinouridin
Xususiyatlari mavjud
Optik va tarqalish
Termal
Mulk | Qiymat | Vaziyat | Manba |
Optik aylanish kuchi | -19 daraja | Erituvchi: metanol; l: 589,3 nm; Harorat: 26 °C | (1) CAS |
(1) Kodington, Jon F.; Amerika kimyo jamiyati jurnali, (1961), 83, 5030-1, CAplus
Mulk | Qiymat | Vaziyat | Manba |
Erish nuqtasi | 250-253 ° S | (1) CAS | |
Erish nuqtasi | 246 ° S | Erituvchi: etanol; Izopropanol | (2) CAS |
Erish nuqtasi | 242-245 ° S | (3) CAS | |
Erish nuqtasi | 242-243 ° S | (4) CAS | |
Erish nuqtasi | 236-238 °C (parchalanish) | (5) CAS | |
Erish nuqtasi | 234 ° S | (6) CAS | |
Erish nuqtasi | 234-235 ° S gacha | (7) CAS | |
Erish nuqtasi | 233-234 °C (parchalanish) | Erituvchi: metanol | (8) CAS |
Erish nuqtasi | Toʻliq matnni koʻring | (9) CAS |
(1) Lin, Kun-I.; Xitoy kimyo jamiyati jurnali (Taypey, Tayvan), (2007), 54(2), 563-568, CAplus
(2) Takatsuki, Ken-ichi; Nukleozidlar, nukleotidlar va nuklein kislotalar, (2006), 25(7), 719-734, CAplus
(3) Vnuk, Stanislav F.; Organik kimyo jurnali, (2002), 67(6), 1816-1819, CAplus
(4) Szlenkier, Maurycy; Nukleozidlar, nukleotidlar va nuklein kislotalar, (2016), 35(8), 410-425, CAplus
(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus
(6) Krizmanich, Irena; Tetraedr, (2003), 59(23), 4047-4057, CAplus
(7) Jigarrang, DM; Kimyoviy jamiyat jurnali, (1958), 3035-8, CAplus
(8) Li, Heting; Sintetik aloqalar, (2006), 36(14), 1933-1940, CAplus
(9) Kodington, Jon F.; Amerika kimyo jamiyati jurnali, (1961), 83, 5030-1, CAplus
Spektrlar mavjud
1H NMR
13C NMR
IR
Spektrlar mavjud
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 | 7.66 | pH 1; Harorat: 25 °C | (1) ACD |
Koch | 7.66 | pH 2; Harorat: 25 °C | (1) ACD |
Koch | 7.66 | pH 3; Harorat: 25 °C | (1) ACD |
Koch | 7.66 | pH 4; Harorat: 25 °C | (1) ACD |
Koch | 7.66 | pH 5; Harorat: 25 °C | (1) ACD |
Koch | 7.66 | pH 6; Harorat: 25 °C | (1) ACD |
Koch | 7.66 | pH 7; Harorat: 25 °C | (1) ACD |
Koch | 7.66 | pH 8; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Koch | 7.66 | pH 9; Harorat: 25 °C | (1) ACD |
Koch | 7.64 | pH 10; Harorat: 25 °C | (1) ACD |
logD | -0,91 | pH 1; Harorat: 25 °C | (1) ACD |
logD | -0,91 | pH 2; Harorat: 25 °C | (1) ACD |
logD | -0,91 | pH 3; Harorat: 25 °C | (1) ACD |
logD | -0,91 | pH 4; Harorat: 25 °C | (1) ACD |
logD | -0,91 | pH 5; Harorat: 25 °C | (1) ACD |
logD | -0,91 | pH 6; Harorat: 25 °C | (1) ACD |
logD | -0,91 | pH 7; Harorat: 25 °C | (1) ACD |
logD | -0,91 | pH 8; Harorat: 25 °C | (1) ACD |
logD | -0,91 | pH 9; Harorat: 25 °C | (1) ACD |
logD | -0,91 | pH 10; Harorat: 25 °C | (1) ACD |
logP | -0,906±0,555 | Harorat: 25 °C | (1) ACD |
Massaning ichki eruvchanligi | 4,7 g/l | Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 4,7 g/l | pH 1; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 4,7 g/l | pH 2; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 4,7 g/l | pH 3; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 4,7 g/l | pH 4; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 4,7 g/l | pH 5; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 4,7 g/l | pH 6; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 4,7 g/l | pH 7; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 4,7 g/l | pH 8; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 4,7 g/l | pH 9; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 4,7 g/l | pH 10; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 4,7 g/l | Bufersiz suv pH 6,91; Harorat: 25 °C | (1) ACD |
Molar ichki eruvchanligi | 0,021 mol/l | Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,021 mol/l | pH 1; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,021 mol/l | pH 2; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,021 mol/l | pH 3; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,021 mol/l | pH 4; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,021 mol/l | pH 5; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,021 mol/l | pH 6; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Molyar eruvchanlik | 0,021 mol/l | pH 7; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,021 mol/l | pH 8; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,021 mol/l | pH 9; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,021 mol/l | pH 10; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 0,021 mol/l | Bufersiz suv pH 6,91; Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 226.19 | ||
pKa | 12,55±0,40 | Eng kislotali harorat: 25 °C | (1) ACD |
pKa | -4,68±0,60 | Eng asosiy harorat: 25 °C | (1) ACD |
Bug 'bosimi | 3,04 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 | 2,01±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
Molyar hajm | 112,3±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 | -0,906±0,555 | Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 226.19 |
(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 | 456,3±55,0 °C | Matbuot: 760 Torr | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Bug'lanish entalpiyasi | 82,62±6,0 kJ/mol | Matbuot: 760 Torr | (1) ACD |
O't olish nuqtasi | 229,8±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
Kod xavf bayonoti manbasi | |
H302 Yutilganda zararli | Evropa kimyo agentligi (ECHA) tasniflash va etiketlash Inventarizatsiya - Xabar qilingan tasnif va etiketka - eng keng tarqalgan bildirishnomalar, Evropa kimyo agentligi (ECHA) Tasniflash va etiketkalash inventarizatsiyasi - Xabardor qilingan tasnif va etiketkalar - eng jiddiy bildirishnomalar |