C41H51N5O8Si Guanozin, 5'-O-[bis(4-metoksifenil)fenilmetil]-2'-O-[(1,1- dimetiletil)dimetilsilil]-N-(2-metil-1-oksopropil)- (9CI, ACI) )
Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
Molekulyar og'irlik | 769,96 | - |
Zichlik (taxmin qilingan) | 1,25±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr |
pKa (taxmin qilingan) | 9,16±0,20 | Eng kislotali harorat: 25 °C |
Kanonik tabassum O=C1N=C(NC(=O)C(C)C)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
Izomerik tabassum
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)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/C41H51N5O8Si/c1-25(2)36(48)44-39-43-35-32(37(49)45-39)42-24-46(35)38-34(54-55() 8,9)40(3,4)5)33(47)31(53-38)23-52-41(2 6-13-11-10-12-14-26,27-15-19-29 (50-6)20-16-27)28-17-21-30(51-7)22-18-28/h10-22,24-25,31,33-34,38,47H,23H2,1 -9H3,(H2,43,44,45,
48,49)/t31-,33-,34-,38-/m1/s1
InChI kaliti
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 Ushbu moddaning boshqa nomi
5'-O-[Bis(4-metoksifenil)fenilmetil]-2'-O-[(1,1-dimetiletil)dimetilsilil]-N-(2-metil-1-oksopropil)guanozin (ACI)
Spektrlar mavjud
1H NMR
13C NMR
Massa
Xususiyatlari mavjud |
Biologik |
Kimyoviy |
Zichlik |
Lipinskiy |
Tuzilishi bilan bog'liq |
Biologik
Mulk | Qiymat | Vaziyat | Manba |
Biokonsentratsiya omili | 1,38 x 105 | pH 1; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 3,53 x 105 | pH 2; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 4,18 x 105 | pH 3; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 4,26 x 105 | pH 4; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 4,26 x 105 | pH 5; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 4,26 x 105 | pH 6; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 4,21 x 105 | pH 7; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 3,77 x 105 | pH 8; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,86 x 105 | pH 9; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 33800 | 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 | 1,21 x 105 | pH 1; Harorat: 25 °C | (1) ACD |
Koch | 3,08 x 105 | pH 2; Harorat: 25 °C | (1) ACD |
Koch | 3,65 x 105 | pH 3; Harorat: 25 °C | (1) ACD |
Koch | 3,72 x 105 | pH 4; Harorat: 25 °C | (1) ACD |
Koch | 3,73 x 105 | pH 5; Harorat: 25 °C | (1) ACD |
Koch | 3,72 x 105 | pH 6; Harorat: 25 °C | (1) ACD |
Koch | 3,68 x 105 | pH 7; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Koch | 3,30 x 105 | pH 8; Harorat: 25 °C | (1) ACD |
Koch | 1,62 x 105 | pH 9; Harorat: 25 °C | (1) ACD |
Koch | 29600 | pH 10; Harorat: 25 °C | (1) ACD |
logD | 7.22 | pH 1; Harorat: 25 °C | (1) ACD |
logD | 7.63 | pH 2; Harorat: 25 °C | (1) ACD |
logD | 7.70 | pH 3; Harorat: 25 °C | (1) ACD |
logD | 7.71 | pH 4; Harorat: 25 °C | (1) ACD |
logD | 7.71 | pH 5; Harorat: 25 °C | (1) ACD |
logD | 7.71 | pH 6; Harorat: 25 °C | (1) ACD |
logD | 7.70 | pH 7; Harorat: 25 °C | (1) ACD |
logD | 7.66 | pH 8; Harorat: 25 °C | (1) ACD |
logD | 7.35 | pH 9; Harorat: 25 °C | (1) ACD |
logD | 6.61 | pH 10; Harorat: 25 °C | (1) ACD |
logP | 7,710±0,709 | Harorat: 25 °C | (1) ACD |
Massaning ichki eruvchanligi | 2,7 x 10-5 g/l | Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 8,5 x 10-5 g/l | pH 1; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,3 x 10-5 g/l | pH 2; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,8 x 10-5 g/l | pH 3; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,7 x 10-5 g/l | pH 4; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,7 x 10-5 g/l | pH 5; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,7 x 10-5 g/l | pH 6; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,8 x 10-5 g/l | pH 7; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,1 x 10-5 g/L | pH 8; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 6,2 x 10-5 g/l | pH 9; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 3,5 x 10-4 g/l | pH 10; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,8 x 10-5 g/l | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molar ichki eruvchanligi | 3,5 x 10-8 mol/l | Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,1 x 10-7 mol/L | pH 1; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 4,3 x 10-8 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,6 x 10-8 mol/l | pH 3; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,5 x 10-8 mol/l | pH 4; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,5 x 10-8 mol/l | pH 5; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Molyar eruvchanlik | 3,5 x 10-8 mol/l | pH 6; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,6 x 10-8 mol/l | pH 7; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 4,0 x 10-8 mol/L | pH 8; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 8,1 x 10-8 mol/L | pH 9; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 4,5 x 10-7 mol/l | pH 10; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,6 x 10-8 mol/l | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 769,96 | ||
pKa | 9,16±0,20 | Eng kislotali harorat: 25 °C | (1) ACD |
pKa | 1,73±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 | 1,25±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
Molyar hajm | 615,5±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 | 13 | (1) ACD | |
H Donorlar | 3 | (1) ACD | |
H Donor/akseptor summasi | 16 | (1) ACD | |
logP | 7,710±0,709 | Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 769,96 |
(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 | 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