C44H53FN7O8 Guanozin, 5' -O- [bis(4-metoksifenil)fenilmetil]-2' -deoksi-2' - ftor-N-(2-metil-1-oksopropil)-, 3' - [2-siyanoetil N, N-bis(1-metil etil)fosforamidit] (ACI)
CAS ro'yxatga olish raqami
144089-97-4
Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
Molekulyar og'irlik | 857,91 | - |
pKa (taxmin qilingan) | 9,16±0,20 | Eng kislotali harorat: 25 °C |
Kanonik tabassum
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C= NC=6C (=O)N=C(NC(=O)C(C)C)NC65)N(C(C) C)C(C)C
Izomerik tabassum
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](F)[C@@ H](O1)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC)C =C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI= 1S/C44H53FN7O8P/c1-27(2)40(53)49-43-48-39-37(41(54)50-43)47-26-51(39)42-36(45)38(60- 61(58-24-12-23-46)52(28(3)4)29(5) 6)35(59-42)25-57-44(30-13-10-9-11-14-30,31-15-19-33(55-7)20-16- 31)32-17-21-34(56-8)22-18-32/h9-11,13-22,26-29,35-36,38,42H,12, 24-25H2,1-8H3,(H2,48,49,50,53,54)/t35-,36-,38-,42-,61?/m1/s1
InChI kaliti
KJFUMXZZVYMQEU-AOCJBPQJSA-N
1 Ushbu moddaning boshqa nomi
Guanozin, 5' -O- [bis(4-metoksifenil)fenilmetil]-2' -deoksi-2' -ftor-N-(2-metil-1-oksopropil)-, 3' - [2-siyanoetil bis(1-metil etil)fosforamidit] (9CI)
Xususiyatlari mavjud
Biologik
Kimyoviy
Lipinskiy
Tuzilishi bilan bog'liq
Mulk | Qiymat | Vaziyat | Manba |
Biokonsentratsiya omili | 298 | pH 1; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 6350 | pH 2; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 57800 | pH 3; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,76 x 105 | pH 4; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 2,21 x 105 | pH 5; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 2,26 x 105 | pH 6; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 2,24 x 105 | pH 7; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 2,03 x 105 | pH 8; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,04 x 105 | pH 9; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 19300 | 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 qiymati Vaziyat Manba |
Koc 312 pH 1; Harorat: 25 °C (1) ACD |
Koc 6630 pH 2; Harorat: 25 °C (1) ACD |
Koc 60400 pH 3; Harorat: 25 °C (1) ACD |
Koc 1,84 x 105 pH 4; Harorat: 25 °C (1) ACD |
Koc 2,31 x 105 pH 5; Harorat: 25 °C (1) ACD |
Koc 2,37 x 105 pH 6; Harorat: 25 °C (1) ACD |
Koc 2,35 x 105 pH 7; Harorat: 25 °C (1) ACD |
Koc 2,12 x 105 pH 8; Harorat: 25 °C (1) ACD |
Koc 1,08 x 105 pH 9; Harorat: 25 °C (1) ACD |
Koc 20200 pH 10; Harorat: 25 °C (1) ACD |
logD 4,47 pH 1; Harorat: 25 °C (1) ACD |
logD 5,80 pH 2; Harorat: 25 °C (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
logD | 6.76 | pH 3; Harorat: 25 °C | (1) ACD |
logD | 7.24 | pH 4; Harorat: 25 °C | (1) ACD |
logD | 7.34 | pH 5; Harorat: 25 °C | (1) ACD |
logD | 7.35 | pH 6; Harorat: 25 °C | (1) ACD |
logD | 7.35 | pH 7; Harorat: 25 °C | (1) ACD |
logD | 7.30 | pH 8; Harorat: 25 °C | (1) ACD |
logD | 7.01 | pH 9; Harorat: 25 °C | (1) ACD |
logD | 6.28 | pH 10; Harorat: 25 °C | (1) ACD |
logP | 7,351±0,713 | Harorat: 25 °C | (1) ACD |
Massaning ichki eruvchanligi | 3,0 x 10-5 g/L | Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 0,022 g/l | pH 1; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,0 x 10-3 g/L | pH 2; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,2 x 10-4 g/l | pH 3; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,9 x 10-5 g/L | pH 4; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,1 x 10-5 g/L | pH 5; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,0 x 10-5 g/L | pH 6; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,0 x 10-5 g/L | pH 7; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,3 x 10-5 g/l | pH 8; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 6,5 x 10-5 g/l | pH 9; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,5 x 10-4 g/l | pH 10; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,0 x 10-5 g/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molar ichki eruvchanligi | 3,5 x 10-8 mol/l | Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,6 x 10-5 mol/L | pH 1; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,2 x 10-6 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,4 x 10-7 mol/L | pH 3; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 4,5 x 10-8 mol/l | pH 4; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,6 x 10-8 mol/l | pH 5; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,5 x 10-8 mol/l | pH 6; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,5 x 10-8 mol/l | pH 7; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,9 x 10-8 mol/L | pH 8; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 7,6 x 10-8 mol/L | pH 9; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 4,1 x 10-7 mol/L | pH 10; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Molyar eruvchanlik | 3,5 x 10-8 mol/l | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 857,91 | ||
pKa | 9,16±0,20 | Eng kislotali harorat: 25 °C | (1) ACD |
pKa | 3,45±0,70 | Eng asosiy 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 manbai |
Qutb yuzasi maydoni | 184 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 |
Erkin aylanadigan obligatsiyalar | 18 | (1) ACD | |
H qabul qiluvchilar | 15 | (1) ACD | |
H Donorlar | 2 | (1) ACD | |
H Donor/akseptor summasi | 17 | (1) ACD | |
logP | 7,351±0,713 | Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 857,91 |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)