C44H49N5O7Si Adenozin, N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'- O-[(1,1-dimetiletil)dimetilsilil]- (9CI, ACI)
Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
Molekulyar og'irlik | 787,98 | - |
Zichlik (taxmin qilingan) | 1,23±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr |
pKa (taxmin qilingan) | 7,87±0,43 | Eng kislotali harorat: 25 °C |
Kanonik tabassum
O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C (O)C3O[Si](C)(C)C(C)(C)C)C=7C=CC= CC7
Izomerik tabassum
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)N2C= 3C(N=C2)=C(N C(=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/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-37(50)35(55-42(3) 8)49-28-47-36-39(45-27-46-40(36)49)48-41(51)29-14-10-8-11-15-2 9)26-54-44(30-16-12-9-13-17-30,31-18-22-33(52-4)23-19-31)32-20 -24-34(53-5)25-21-32/h8-25,27-28,35,37-38,42,50H,26H2,1-7H3,(H,
45,46,48,51)/t35-,37-,38-,42-/m1/s1
InChI kaliti
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Ushbu moddaning boshqa nomlari
N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'-O-[(1,1-dimetiletil) dimetilsilil]adenozin (ACI); N6-benzoil-5'-O-(4,4'- dimetoksitritil)-2'-O-(tert-butildimetilsilil)adenozin
Spektrlar mavjud
1H NMR
Hetero NMR
Xususiyatlari mavjud |
Biologik |
Kimyoviy |
Zichlik |
Lipinskiy |
Tuzilishi bilan bog'liq |
Biologik
Mulk | Qiymat | Vaziyat | Manba |
Biokonsentratsiya omili | 1,00 x 106 | pH 1; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,00 x 106 | 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 | 1,00 x 106 | pH 9; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 5,41 x 105 | 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)
Kimyoviy
Mulk | Qiymat | Vaziyat | Manba |
Koch | 2,01 x 106 | pH 1; Harorat: 25 °C | (1) ACD |
Koch | 6,87 x 106 | pH 2; Harorat: 25 °C | (1) ACD |
Koch | 9,08 x 106 | pH 3; Harorat: 25 °C | (1) ACD |
Koch | 9,38 x 106 | pH 4; Harorat: 25 °C | (1) ACD |
Koch | 9,39 x 106 | pH 5; Harorat: 25 °C | (1) ACD |
Koch | 9,19 x 106 | pH 6; Harorat: 25 °C | (1) ACD |
Koch | 7,53 x 106 | pH 7; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Koch | 2,73 x 106 | pH 8; Harorat: 25 °C | (1) ACD |
Koch | 4,48 x 105 | pH 9; Harorat: 25 °C | (1) ACD |
Koch | 1,31 x 105 | pH 10; Harorat: 25 °C | (1) ACD |
logD | 9.62 | pH 1; Harorat: 25 °C | (1) ACD |
logD | 10.15 | pH 2; Harorat: 25 °C | (1) ACD |
logD | 10.27 | pH 3; Harorat: 25 °C | (1) ACD |
logD | 10.29 | pH 4; Harorat: 25 °C | (1) ACD |
logD | 10.29 | pH 5; Harorat: 25 °C | (1) ACD |
logD | 10.28 | pH 6; Harorat: 25 °C | (1) ACD |
logD | 10.19 | pH 7; Harorat: 25 °C | (1) ACD |
logD | 9.75 | pH 8; Harorat: 25 °C | (1) ACD |
logD | 8.97 | pH 9; Harorat: 25 °C | (1) ACD |
logD | 8.43 | pH 10; Harorat: 25 °C | (1) ACD |
logP | 10,291±0,708 | Harorat: 25 °C | (1) ACD |
Massaning ichki eruvchanligi | 1,1 x 10-6 g/l | Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 4,8 x 10-6 g/l | pH 1; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,4 x 10-6 g/l | pH 2; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,1 x 10-6 g/l | pH 3; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,0 x 10-6 g/L | pH 4; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,0 x 10-6 g/L | pH 5; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,0 x 10-6 g/L | pH 6; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,3 x 10-6 g/l | pH 7; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,5 x 10-6 g/l | pH 8; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,2 x 10-5 g/L | pH 9; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 7,6 x 10-5 g/l | pH 10; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,3 x 10-6 g/l | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molar ichki eruvchanligi | 1,4 x 10-9 mol/L | Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 6,1 x 10-9 mol/L | pH 1; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,8 x 10-9 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,4 x 10-9 mol/L | pH 3; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,3 x 10-9 mol/L | pH 4; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,3 x 10-9 mol/L | pH 5; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Molyar eruvchanlik | 1,3 x 10-9 mol/L | pH 6; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,6 x 10-9 mol/L | pH 7; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 4,5 x 10-9 mol/l | pH 8; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,8 x 10-8 mol/L | pH 9; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 9,6 x 10-8 mol/L | pH 10; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,6 x 10-9 mol/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 787,98 | ||
pKa | 7,87±0,43 | Eng kislotali harorat: 25 °C | (1) ACD |
pKa | 1,39±0,10 | 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)
Zichlik
Mulk | Qiymat | Vaziyat | Manba |
Zichlik | 1,23±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
Molyar hajm | 639,5±7,0 sm3/mol | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Lipinskiy
Mulk | Qiymat | Vaziyat | Manba |
Erkin aylanadigan obligatsiyalar | 14 | (1) ACD | |
H qabul qiluvchilar | 12 | (1) ACD | |
H Donorlar | 2 | (1) ACD | |
H Donor/akseptor summasi | 14 | (1) ACD | |
logP | 10,291±0,708 | Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 787,98 |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Tuzilishi bilan bog'liq
Mulk | Qiymat | Vaziyat | Manba |
Qutb yuzasi maydoni | 139 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