C30H29FN2O7 Uridin, 5'-O-[bis(4-metoksifenil)fenilmetil]-2'-deoksi-2'- ftor- (9CI, ACI)
Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
Molekulyar og'irlik | 548,56 | - |
Erish nuqtasi (eksperimental) | 118-120 ° S | - |
Zichlik (taxmin qilingan) | 1,38±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr |
pKa (taxmin qilingan) | 9,39±0,10 | Eng kislotali harorat: 25 °C |
Kanonik tabassum O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2F
Izomerik tabassum C(OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3= CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-) 2)15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- ,27-,28-/m1/s1
InChI kaliti
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Ushbu moddaning boshqa nomi
5'-O-[Bis(4-metoksifenil)fenilmetil]-2'-deoksi-2'-ftoruridin (ACI)
Xususiyatlari mavjud
Termal
Termal
Mulk | Qiymat | Vaziyat | Manba |
Erish nuqtasi | 118-120 ° S | (1) CAS |
(1) Penjarla, Srishilam; Nukleozidlar, nukleotidlar va nuklein kislotalar, (2018), 37(4), 232-247, CAplus
Spektrlar mavjud
1H NMR
13C NMR
Xususiyatlari mavjud |
Biologik |
Kimyoviy |
Zichlik |
Lipinskiy |
Tuzilishi bilan bog'liq |
Biologik
Mulk | Qiymat | Vaziyat | Manba |
Biokonsentratsiya omili | 3580 | pH 1; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 3580 | pH 2; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 3580 | pH 3; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 3580 | pH 4; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 3580 | pH 5; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 3580 | pH 6; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 3570 | pH 7; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 3430 | pH 8; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 2500 | pH 9; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 689 | 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)
Kimyoviy
Mulk | Qiymat | Vaziyat | Manba |
Koch | 12200 | pH 1; Harorat: 25 °C | (1) ACD |
Koch | 12200 | pH 2; Harorat: 25 °C | (1) ACD |
Koch | 12200 | pH 3; Harorat: 25 °C | (1) ACD |
Koch | 12200 | pH 4; Harorat: 25 °C | (1) ACD |
Koch | 12200 | pH 5; Harorat: 25 °C | (1) ACD |
Koch | 12200 | pH 6; Harorat: 25 °C | (1) ACD |
Koch | 12100 | pH 7; Harorat: 25 °C | (1) ACD |
Koch | 11700 | pH 8; Harorat: 25 °C | (1) ACD |
Koch | 8480 | pH 9; Harorat: 25 °C | (1) ACD |
Koch | 2340 | pH 10; Harorat: 25 °C | (1) ACD |
logD | 4.98 | pH 1; Harorat: 25 °C | (1) ACD |
logD | 4.98 | pH 2; Harorat: 25 °C | (1) ACD |
logD | 4.98 | pH 3; Harorat: 25 °C | (1) ACD |
logD | 4.98 | pH 4; Harorat: 25 °C | (1) ACD |
logD | 4.98 | pH 5; Harorat: 25 °C | (1) ACD |
logD | 4.98 | pH 6; Harorat: 25 °C | (1) ACD |
logD | 4.98 | pH 7; Harorat: 25 °C | (1) ACD |
logD | 4.96 | pH 8; Harorat: 25 °C | (1) ACD |
logD | 4.82 | pH 9; Harorat: 25 °C | (1) ACD |
logD | 4.26 | pH 10; Harorat: 25 °C | (1) ACD |
logP | 4,979±0,563 | Harorat: 25 °C | (1) ACD |
Massaning ichki eruvchanligi | 9,9 x 10-5 g/L | Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 9,9 x 10-5 g/L | pH 1; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 9,9 x 10-5 g/L | pH 2; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 9,9 x 10-5 g/L | pH 3; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 9,9 x 10-5 g/L | pH 4; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 9,9 x 10-5 g/L | pH 5; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 9,9 x 10-5 g/L | pH 6; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 9,9 x 10-5 g/L | pH 7; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 9,9 x 10-5 g/L | pH 8; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,4 x 10-4 g/l | pH 9; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,0 x 10-4 g/L | pH 10; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Ommaviy eruvchanlik | 9,9 x 10-5 g/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molar ichki eruvchanligi | 1,8 x 10-7 mol/L | Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,8 x 10-7 mol/L | pH 1; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,8 x 10-7 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,8 x 10-7 mol/L | pH 3; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,8 x 10-7 mol/L | pH 4; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,8 x 10-7 mol/L | pH 5; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,8 x 10-7 mol/L | pH 6; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,8 x 10-7 mol/L | pH 7; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,8 x 10-7 mol/L | pH 8; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,5 x 10-7 mol/l | pH 9; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 9,2 x 10-7 mol/L | pH 10; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,8 x 10-7 mol/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 548,56 | ||
pKa | 9,39±0,10 | Eng kislotali harorat: 25 °C | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Zichlik
Mulk | Qiymat | Vaziyat | Manba |
Zichlik | 1,38±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
Molyar hajm | 395,8±5,0 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)
Lipinskiy
Mulk | Qiymat | Vaziyat | Manba |
Erkin aylanadigan obligatsiyalar | 10 | (1) ACD | |
H qabul qiluvchilar | 9 | (1) ACD | |
H Donorlar | 2 | (1) ACD | |
H Donor/akseptor summasi | 11 | (1) ACD | |
logP | 4,979±0,563 | Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 548,56 |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Tuzilishi bilan bog'liq
Mulk | Qiymat | Vaziyat | Manba |
Qutb yuzasi maydoni | 107 A2 | (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