C45H56N7O9P Guanozin, 5' -O- [bis(4-metoksifenil)fenilmetil]-2' -O-metil- N-(2-metil-1-oksopropil)-, 3' - [2-siyanoetil N, N-bis (1-metiletil) fosforamidit] (ACI)
CAS ro'yxatga olish raqami
150780-67-9
H303
Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
Molekulyar og'irlik | 869,94 | - |
pKa (taxmin qilingan) | 9,16±0,20 | Eng kislotali harorat: 25 °C |
N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C6)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](OC)[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/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9) 38(61-62(59-25-13-24-)
46)52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-1 6-20-34(55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27 -30,36,38-39,43H,13,25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/ m1/s1
InChI kaliti
IRRDHRZUOZNWDJ-MLLDKZSOSA-N
1 Ushbu moddaning boshqa nomi
Guanozin, 5' -O- [bis(4-metoksifenil)fenilmetil]-2' -O-metil-N-(2-metil-1-oksopropil)-, 3' - [2-siyanoetil bis(1-metiletil)fosforamidit] (9CI)
Spektrlar mavjud
13C NMR
Hetero NMR
Xususiyatlari mavjud
Biologik
Kimyoviy
Lipinskiy
Tuzilishi bilan bog'liq
Mulk | Qiymat | Vaziyat | Manba |
Biokonsentratsiya omili | 183 | pH 1; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 3890 | pH 2; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 35500 | pH 3; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,08 x 105 | pH 4; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,36 x 105 | pH 5; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,39 x 105 | pH 6; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,38 x 105 | pH 7; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,24 x 105 | pH 8; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 63600 | pH 9; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 11900 | 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 | 220 | pH 1; Harorat: 25 °C | (1) ACD |
Koch | 4680 | pH 2; Harorat: 25 °C | (1) ACD |
Koch | 42600 | pH 3; Harorat: 25 °C | (1) ACD |
Koch | 1,30 x 105 | pH 4; Harorat: 25 °C | (1) ACD |
Koch | 1,63 x 105 | pH 5; Harorat: 25 °C | (1) ACD |
Koch | 1,67 x 105 | pH 6; Harorat: 25 °C | (1) ACD |
Koch | 1,65 x 105 | pH 7; Harorat: 25 °C | (1) ACD |
Koch | 1,49 x 105 | pH 8; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Koch | 76400 | pH 9; Harorat: 25 °C | (1) ACD |
Koch | 14200 | pH 10; Harorat: 25 °C | (1) ACD |
logD | 4.19 | pH 1; Harorat: 25 °C | (1) ACD |
logD | 5.52 | pH 2; Harorat: 25 °C | (1) ACD |
logD | 6.48 | pH 3; Harorat: 25 °C | (1) ACD |
logD | 6.96 | pH 4; Harorat: 25 °C | (1) ACD |
logD | 7.06 | pH 5; Harorat: 25 °C | (1) ACD |
logD | 7.07 | pH 6; Harorat: 25 °C | (1) ACD |
logD | 7.07 | pH 7; Harorat: 25 °C | (1) ACD |
logD | 7.02 | pH 8; Harorat: 25 °C | (1) ACD |
logD | 6.73 | pH 9; Harorat: 25 °C | (1) ACD |
logD | 6.00 | pH 10; Harorat: 25 °C | (1) ACD |
logP | 7,072±0,721 | Harorat: 25 °C | (1) ACD |
Massaning ichki eruvchanligi | 1,2 x 10-4 g/L | Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 0,096 g/l | pH 1; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 4,3 x 10-3 g/l | pH 2; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 4,8 x 10-4 g/l | pH 3; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,6 x 10-4 g/l | pH 4; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,2 x 10-4 g/L | pH 5; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,2 x 10-4 g/L | pH 6; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,2 x 10-4 g/L | pH 7; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,4 x 10-4 g/l | pH 8; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,7 x 10-4 g/l | pH 9; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,4 x 10-3 g/l | pH 10; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,2 x 10-4 g/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molar ichki eruvchanligi | 1,4 x 10-7 mol/L | Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,1 x 10-4 mol/L | pH 1; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 5,0 x 10-6 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 5,5 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 | 1,4 x 10-7 mol/L | pH 5; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,4 x 10-7 mol/L | pH 6; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Molyar eruvchanlik | 1,4 x 10-7 mol/L | pH 7; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,6 x 10-7 mol/l | pH 8; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,1 x 10-7 mol/L | pH 9; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,6 x 10-6 mol/l | pH 10; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,4 x 10-7 mol/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 869,94 | ||
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 | Manba |
Erkin aylanadigan obligatsiyalar | 19 | (1) ACD | |
H qabul qiluvchilar | 16 | (1) ACD | |
H Donorlar | 2 | (1) ACD | |
H Donor/akseptor summasi | 18 | (1) ACD | |
logP | 7,072±0,721 | Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 869,94 |
(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 | 194 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
Kod | Xavf haqida bayonot | Manba |
H303 | Yutib yuborilsa, zararli bo'lishi mumkin | Mutaxassis tomonidan tuzilgan |