C40H49N4O9P Uridin, 5' -O- [bis(4-metoksifenil)fenilmetil]-2' -O-metil-, 3' - [2-siyanoetil N,N-bis(1-metiletil)fosforamidit] (ACI)
CAS ro'yxatga olish raqami
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat | |
Molekulyar og'irlik | 760.81 | - | |
pKa (taxmin qilingan) | 9,39±0,10 | Eng kislotali harorat: 25 °C |
Kanonik tabassum
N#CCCOP(OC1C(OC(N2C=CC(=O)NC2=O)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C( OC)C=C5)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)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/C40H49N4O9P/c1-27(2)44(28(3)4)54(51-25-11-23-41)53-36-34(52-38(37(36)49-7)43- 24-22-35(45)42-39(43)46)26-50-40(29-1) 2-9-8-10-13-29,30-14-18-32(47-5)19-15-30)31-16-20-33(48-6)21-17-31/h8- 10,12-22,24,27-28,34,36-38H,11,25-26H2,1-7H3,
(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1
InChI kaliti
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Ushbu moddaning boshqa nomi
Uridin, 5′ -O- [bis(4-metoksifenil)fenilmetil]-2' -O-metil-, 3' - [2-siyanoetil bis(1-metiletil)fosforamidit] (9CI)
Spektrlar mavjud
Massa
Xususiyatlari mavjud
Biologik
Kimyoviy
Lipinskiy
Tuzilishi bilan bog'liq
Mulk | Qiymat | Vaziyat | Manba |
Biokonsentratsiya omili | 254 | pH 1; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 2050 | pH 2; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 15400 | pH 3; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 46000 | pH 4; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 57500 | pH 5; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 58900 | pH 6; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 58900 | pH 7; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 56800 | pH 8; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 42300 | pH 9; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 12200 | 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 | 389 | pH 1; Harorat: 25 °C | (1) ACD |
Koch | 3140 | pH 2; Harorat: 25 °C | (1) ACD |
Koch | 23600 | pH 3; Harorat: 25 °C | (1) ACD |
Koch | 70500 | pH 4; Harorat: 25 °C | (1) ACD |
Koch | 88100 | pH 5; Harorat: 25 °C | (1) ACD |
Koch | 90300 | pH 6; Harorat: 25 °C | (1) ACD |
Koch | 90200 | pH 7; Harorat: 25 °C | (1) ACD |
Koch | 87100 | pH 8; Harorat: 25 °C | (1) ACD |
Koch | 64800 | pH 9; Harorat: 25 °C | (1) ACD |
Koch | 18700 | pH 10; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
logD | 4.21 | pH 1; Harorat: 25 °C | (1) ACD |
logD | 5.12 | pH 2; Harorat: 25 °C | (1) ACD |
logD | 6.00 | pH 3; Harorat: 25 °C | (1) ACD |
logD | 6.47 | pH 4; Harorat: 25 °C | (1) ACD |
logD | 6.57 | pH 5; Harorat: 25 °C | (1) ACD |
logD | 6.58 | pH 6; Harorat: 25 °C | (1) ACD |
logD | 6.58 | pH 7; Harorat: 25 °C | (1) ACD |
logD | 6.56 | pH 8; Harorat: 25 °C | (1) ACD |
logD | 6.44 | pH 9; Harorat: 25 °C | (1) ACD |
logD | 5.90 | pH 10; Harorat: 25 °C | (1) ACD |
logP | 6,581±0,646 | Harorat: 25 °C | (1) ACD |
Massaning ichki eruvchanligi | 8,4 x 10-5 g/l | Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 0,019 g/l | pH 1; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,4 x 10-3 g/l | pH 2; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,1 x 10-4 g/L | pH 3; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,1 x 10-4 g/L | pH 4; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 8,4 x 10-5 g/l | pH 5; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 8,4 x 10-5 g/l | pH 6; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 8,4 x 10-5 g/l | pH 7; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 8,4 x 10-5 g/l | pH 8; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,1 x 10-4 g/L | pH 9; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 4,0 x 10-4 g/L | pH 10; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 8,4 x 10-5 g/l | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molar ichki eruvchanligi | 1,1 x 10-7 mol/L | Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,5 x 10-5 mol/l | pH 1; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,1 x 10-6 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 4,1 x 10-7 mol/L | pH 3; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,4 x 10-7 mol/L | pH 4; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,1 x 10-7 mol/L | pH 5; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,1 x 10-7 mol/L | pH 6; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,1 x 10-7 mol/L | pH 7; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,1 x 10-7 mol/L | pH 8; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Molyar eruvchanlik | 1,5 x 10-7 mol/l | pH 9; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 5,2 x 10-7 mol/L | pH 10; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,1 x 10-7 mol/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 760.81 | ||
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 | 18 | (1) ACD | |
H qabul qiluvchilar | 13 | (1) ACD | |
H Donorlar | 1 | (1) ACD | |
H Donor/akseptor summasi | 14 | (1) ACD | |
logP | 6,581±0,646 | Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 760.81 |
(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 | 155 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 |
H335 | Nafas olishning tirnash xususiyati keltirib chiqarishi mumkin | Mutaxassis tomonidan tuzilgan |
H331 | Nafas olishda zaharli | Mutaxassis tomonidan tuzilgan |
H319 | Ko'zning jiddiy tirnash xususiyati keltirib chiqaradi | Mutaxassis tomonidan tuzilgan |
H315 | Terining tirnash xususiyati keltirib chiqaradi | Mutaxassis tomonidan tuzilgan |
Kod | Xavf haqida bayonot | Manba |
H311 | Teri bilan aloqa qilganda toksik | Mutaxassis tomonidan tuzilgan |
H301+H311+H331 | Yutilganda, teri bilan aloqa qilganda yoki nafas olayotganda toksik | Mutaxassis tomonidan tuzilgan |
H301 | Yutib yuborilsa toksik | Mutaxassis tomonidan tuzilgan |