C39H46FN4O8P Uridin, 5' -O- [bis(4-metoksifenil)fenilmetil]-2' -deoksi-2' - ftor-, 3' - [2-siyanoetil N,N-bis(1-metiletil)fosforamidit] (ACI) )
CAS ro'yxatga olish raqami
146954-75-8
Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
Molekulyar og'irlik | 748,78 | - |
pKa (taxmin qilingan) | 9,39±0,10 | 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=CC(= O)NC5=O)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)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/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43- 23-21-34(45)42-38(43)46)25-49-39(28-11 -8-7-9-12-28,29-13-17-31(47-5)18- 14-29)30-15-19-32(48-6)20-16-30/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1- 6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1
InChI kaliti
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Ushbu moddaning boshqa nomi
Uridin, 5′ -O- [bis(4-metoksifenil)fenilmetil]-2' -deoksi-2' -ftor-, 3' - [2-siyanoetil bis(1-metiletil)fosforamidit] (9CI)
Xususiyatlari mavjud
Biologik
Kimyoviy
Lipinskiy
Tuzilishi bilan bog'liq
Mulk | Qiymat | Vaziyat | Manba |
Biokonsentratsiya omili | 457 | pH 1; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 3690 | pH 2; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 27700 | pH 3; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 82900 | pH 4; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,04 x 105 | pH 5; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,06 x 105 | pH 6; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,06 x 105 | pH 7; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,02 x 105 | pH 8; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 76200 | pH 9; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 22000 | 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 592 pH 1; Harorat: 25 °C (1) ACD |
Koc 4790 pH 2; Harorat: 25 °C (1) ACD |
Koc 36000 pH 3; Harorat: 25 °C (1) ACD |
Koc 1,07 x 105 pH 4; Harorat: 25 °C (1) ACD |
Koc 1,34 x 105 pH 5; Harorat: 25 °C (1) ACD |
Koc 1,38 x 105 pH 6; Harorat: 25 °C (1) ACD |
Koc 1,37 x 105 pH 7; Harorat: 25 °C (1) ACD |
Koc 1,33 x 105 pH 8; Harorat: 25 °C (1) ACD |
Koc 98800 pH 9; Harorat: 25 °C (1) ACD |
Koc 28600 pH 10; Harorat: 25 °C (1) ACD |
logD 4,55 pH 1; Harorat: 25 °C (1) ACD |
logD 5,46 pH 2; Harorat: 25 °C (1) ACD |
logD 6,33 pH 3; Harorat: 25 °C (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
logD | 6.81 | pH 4; Harorat: 25 °C | (1) ACD |
logD | 6.91 | pH 5; Harorat: 25 °C | (1) ACD |
logD | 6.92 | pH 6; Harorat: 25 °C | (1) ACD |
logD | 6.92 | pH 7; Harorat: 25 °C | (1) ACD |
logD | 6.90 | pH 8; Harorat: 25 °C | (1) ACD |
logD | 6.77 | pH 9; Harorat: 25 °C | (1) ACD |
logD | 6.23 | pH 10; Harorat: 25 °C | (1) ACD |
logP | 6,918±0,641 | Harorat: 25 °C | (1) ACD |
Massaning ichki eruvchanligi | 2,2 x 10-5 g/L | Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,1 x 10-3 g/L | pH 1; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 6,3 x 10-4 g/L | pH 2; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 8,2 x 10-5 g/l | pH 3; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,8 x 10-5 g/l | pH 4; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,2 x 10-5 g/L | pH 5; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,2 x 10-5 g/L | pH 6; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,2 x 10-5 g/L | pH 7; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,2 x 10-5 g/L | pH 8; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,0 x 10-5 g/L | pH 9; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,0 x 10-4 g/L | pH 10; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,2 x 10-5 g/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molar ichki eruvchanligi | 2,9 x 10-8 mol/L | Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 6,8 x 10-6 mol/L | pH 1; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 8,4 x 10-7 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,1 x 10-7 mol/L | pH 3; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,7 x 10-8 mol/L | pH 4; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,0 x 10-8 mol/L | pH 5; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,9 x 10-8 mol/L | pH 6; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,9 x 10-8 mol/L | pH 7; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,0 x 10-8 mol/L | pH 8; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 4,0 x 10-8 mol/L | pH 9; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,4 x 10-7 mol/L | pH 10; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,9 x 10-8 mol/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Molekulyar og'irlik | 748,78 | ||
pKa | 9,39±0,10 | 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 | 17 | (1) ACD | |
H qabul qiluvchilar | 12 | (1) ACD | |
H Donorlar | 1 | (1) ACD | |
H Donor/akseptor summasi | 13 | (1) ACD | |
logP | 6,918±0,641 | Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 748,78 |
(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 | 145 A2 | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)