![C48H54N7O8P Adenozin, N-benzoil-5' -O- [bis(4-metoksifenil)fenilmetil]-2' - O-metil-, 3' - [2-siyanetil N,N-bis(1-metiletil)fosfor amidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C48H54N7O8P Adenozin, N-benzoil-5' -O- [bis(4-metoksifenil)fenilmetil]-2' - O-metil-, 3' - [2-siyanoetil N,N-bis(1-metiletil)fosfor amidit] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P.png)
C48H54N7O8P Adenozin, N-benzoil-5' -O- [bis(4-metoksifenil)fenilmetil]-2' - O-metil-, 3' - [2-siyanetil N,N-bis(1-metiletil)fosfor amidit] (ACI)
CAS ro'yxatga olish raqami
110782-31-5
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
| Molekulyar og'irlik | 887,96 | - |
| pKa (taxmin qilingan) | 7,87±0,43 | Eng kislotali harorat: 25 °C |
Kanonik tabassum
N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OC)COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7 )N)(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=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5=CC= C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChI
InChI= 1S/C48H54N7O8P/c1-32(2)55(33(3)4)64(61-28-14-27-49)63-42-40(62-47(43(42)59-7)54-31-52-41-44(51-45)(51-45)(51-45) 6)34-15-10-8-11-16-34)29-60-48(35-17-12-9-13-18-35,36-19-23-38 (57-5)24-20-36)37-21-25-39(58-6)26-22-37/h8-13,15-26,30-33,40,4 2-43,47H,14,28-29H2,1-7H3,(H,50,51,53,56)/t40-,42-,43-,47-,64?/m1/s1
InChI kaliti
AZCGOTUYEPXHMJ-PSVHYZMASA-N
2 Ushbu moddaning boshqa nomlari
adenozin,N-benzoil-5' -O- [bis(4-metoksifenil)fenilmetil]-2' -O-metil-, 3' - [2-siyanoetil bis(1-metiletil)fosforamidit] (9CI); 5′ -O-(4,4' -dimetoksitritil)-N6-benzoil-2' -O-metiladenozin 3' - (2-siyanoetilN,N-diizopropilfosforamidit)
Spektrlar mavjud
13C NMR
Hetero NMR
Massa
Xususiyatlari mavjud
Biologik
Kimyoviy
Lipinskiy
Tuzilishi bilan bog'liq
| Mulk | Qiymat | Vaziyat | Manba |
| Biokonsentratsiya omili | 4050 | pH 1; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,08 x 105 | pH 2; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,00 x 106 | pH 3; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,00 x 106 | pH 4; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,00 x 106 | pH 5; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,00 x 106 | pH 6; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,00 x 106 | pH 7; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 1,00 x 106 | pH 8; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 2,10 x 105 | pH 9; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 60800 | 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 | 1830 | pH 1; Harorat: 25 °C | (1) ACD |
| Koch | 48700 | pH 2; Harorat: 25 °C | (1) ACD |
| Koch | 4,91 x 105 | pH 3; Harorat: 25 °C | (1) ACD |
| Koch | 1,52 x 106 | pH 4; Harorat: 25 °C | (1) ACD |
| Koch | 1,90 x 106 | pH 5; Harorat: 25 °C | (1) ACD |
| Koch | 1,91 x 106 | pH 6; Harorat: 25 °C | (1) ACD |
| Koch | 1,57 x 106 | pH 7; Harorat: 25 °C | (1) ACD |
| Mulk | Qiymat | Vaziyat | Manba |
| Koch | 5,78 x 105 | pH 8; Harorat: 25 °C | (1) ACD |
| Koch | 95000 | pH 9; Harorat: 25 °C | (1) ACD |
| Koch | 27500 | pH 10; Harorat: 25 °C | (1) ACD |
| logD | 6.01 | pH 1; Harorat: 25 °C | (1) ACD |
| logD | 7.43 | pH 2; Harorat: 25 °C | (1) ACD |
| logD | 8.44 | pH 3; Harorat: 25 °C | (1) ACD |
| logD | 8.93 | pH 4; Harorat: 25 °C | (1) ACD |
| logD | 9.02 | pH 5; Harorat: 25 °C | (1) ACD |
| logD | 9.02 | pH 6; Harorat: 25 °C | (1) ACD |
| logD | 8.94 | pH 7; Harorat: 25 °C | (1) ACD |
| logD | 8.51 | pH 8; Harorat: 25 °C | (1) ACD |
| logD | 7.72 | pH 9; Harorat: 25 °C | (1) ACD |
| logD | 7.18 | pH 10; Harorat: 25 °C | (1) ACD |
| logP | 9,038±0,723 | Harorat: 25 °C | (1) ACD |
| Massaning ichki eruvchanligi | 1,4 x 10-5 g/l | Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,014 g/l | pH 1; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 5,3 x 10-4 g/L | pH 2; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 5,3 x 10-5 g/l | pH 3; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 1,7 x 10-5 g/l | pH 4; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 1,3 x 10-5 g/l | pH 5; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 1,3 x 10-5 g/l | pH 6; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 1,7 x 10-5 g/l | pH 7; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 4,5 x 10-5 g/l | pH 8; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 2,8 x 10-4 g/l | pH 9; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 9,8 x 10-4 g/L | pH 10; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 1,7 x 10-5 g/l | Bufersiz suv pH 6,99; Harorat: 25 °C | (1) ACD |
| Molar ichki eruvchanligi | 1,6 x 10-8 mol/l | Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,6 x 10-5 mol/l | pH 1; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 6,0 x 10-7 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 6,0 x 10-8 mol/L | pH 3; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,9 x 10-8 mol/L | pH 4; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,5 x 10-8 mol/l | pH 5; Harorat: 25 °C | (1) ACD |
| Mulk | Qiymat | Vaziyat | Manba |
| Molyar eruvchanlik | 1,5 x 10-8 mol/l | pH 6; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,9 x 10-8 mol/L | pH 7; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 5,1 x 10-8 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 | 1,1 x 10-6 mol/L | pH 10; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,9 x 10-8 mol/L | Bufersiz suv pH 6,99; Harorat: 25 °C | (1) ACD |
| Molekulyar og'irlik | 887,96 | ||
| pKa | 7,87±0,43 | 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 | 15 | (1) ACD | |
| H Donorlar | 1 | (1) ACD | |
| H Donor/akseptor summasi | 16 | (1) ACD | |
| logP | 9,038±0,723 | Harorat: 25 °C | (1) ACD |
| Molekulyar og'irlik | 887,96 |
(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 | 178 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 |
| Kod | Xavf haqida bayonot | Manba |
| 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 |
| 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 |
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