C41H41N5O8 Adenozin, N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'- O-(2-metoksietil)- (9CI, ACI)
Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
Molekulyar og'irlik | 731,79 | - |
Erish nuqtasi (eksperimental) | 119-121 ° S | - |
Zichlik (taxmin qilingan) | 1,31±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)C3OCCOC)C=7C=CC=CC7
Izomerik tabassum
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)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/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26 -44-34-37(42-25-43-38(34)46)45-39(48)27-10-6-4-7-11-27)24-53- 41(28-12-8-5-9-13-28,29-14-18-31(50-2)19-15-29)30-16-20-32(51-3)21-17- 30/h4-21,25-26,33,35-36,40,47H,22-24H2,1-3H3, (H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
InChI kaliti
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 Ushbu moddaning boshqa nomlari
N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'-O-(2-metoksietil)adenozin (ACI); 17: PN: US20030211606 PAGE: 19 da'vo qilingan ketma-ketlik; 18: PN: US20040005569 PAGE: 22 da'vo qilingan ketma-ketlik; 20: PN: US20040006030 PAGE: 23 da'vo qilingan ketma-ketlik; 20: PN: US20040014047 PAGE: 21 da'vo qilingan ketma-ketlik; 20: PN: US20040014049 PAGE: 21 da'vo qilingan ketma-ketlik; 21: PN: US20040005570 PAG
E: 20 da'vo qilingan ketma-ketlik; 21: PN: US20040014048 PAGE: 21 da'vo qilingan ketma-ketlik; 21: PN: US20040014050 PAGE: 20 da'vo qilingan ketma-ketlik; 22: PN: US20040005565 PAGE: 17- 22 da'vo qilingan ketma-ketlik; 22: PN: US20040014051 PAGE: 23 da'vo qilingan ketma-ketlik; 23: PN: US20040 014699 PAGE: 20 da'vo qilingan ketma-ketlik; 24: PN: US20040006029 PAGE: 23 da'vo qilingan ketma-ketlik; 24: PN: WO03106645 PAGE: 73 da'vo qilingan ketma-ketlik; 5'-Dimetoksitritil-2'-O-(2-Metoksietil)-N6-benzoil adenozin; 95: PN: US20040005707 SAHIFA: 20 ta daʼvo qilingan ketma-ketlik
Xususiyatlari mavjud |
Termal |
Termal
Mulk | Qiymat | Vaziyat | Manba |
Erish nuqtasi | 119-121 ° S | (1) CAS |
(1) Penjarla, Srishilam; Nukleozidlar, nukleotidlar va nuklein kislotalar, (2018), 37(4), 232-247, CAplus
Spektrlar mavjud
1H NMR
13C NMR
Xususiyatlari mavjud |
Biologik |
Kimyoviy |
Zichlik |
Lipinskiy |
Tuzilishi bilan bog'liq |
Biologik
Mulk | Qiymat | Vaziyat | Manba |
Biokonsentratsiya omili | 31700 | pH 1; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,08 x 105 | pH 2; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,43 x 105 | pH 3; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,48 x 105 | pH 4; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,48 x 105 | pH 5; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,45 x 105 | pH 6; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1,19 x 105 | pH 7; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 43000 | pH 8; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 7050 | pH 9; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Biokonsentratsiya omili | 2060 | 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 | 37400 | pH 1; Harorat: 25 °C | (1) ACD |
Koch | 1,28 x 105 | pH 2; Harorat: 25 °C | (1) ACD |
Koch | 1,69 x 105 | pH 3; Harorat: 25 °C | (1) ACD |
Koch | 1,74 x 105 | pH 4; Harorat: 25 °C | (1) ACD |
Koch | 1,74 x 105 | pH 5; Harorat: 25 °C | (1) ACD |
Koch | 1,71 x 105 | pH 6; Harorat: 25 °C | (1) ACD |
Koch | 1,40 x 105 | pH 7; Harorat: 25 °C | (1) ACD |
Koch | 50700 | pH 8; Harorat: 25 °C | (1) ACD |
Koch | 8320 | pH 9; Harorat: 25 °C | (1) ACD |
Koch | 2430 | pH 10; Harorat: 25 °C | (1) ACD |
logD | 6.44 | pH 1; Harorat: 25 °C | (1) ACD |
logD | 6.97 | pH 2; Harorat: 25 °C | (1) ACD |
logD | 7.09 | pH 3; Harorat: 25 °C | (1) ACD |
logD | 7.11 | pH 4; Harorat: 25 °C | (1) ACD |
logD | 7.11 | pH 5; Harorat: 25 °C | (1) ACD |
logD | 7.10 | pH 6; Harorat: 25 °C | (1) ACD |
logD | 7.01 | pH 7; Harorat: 25 °C | (1) ACD |
logD | 6.57 | pH 8; Harorat: 25 °C | (1) ACD |
logD | 5.78 | pH 9; Harorat: 25 °C | (1) ACD |
logD | 5.25 | pH 10; Harorat: 25 °C | (1) ACD |
logP | 7,109±0,766 | Harorat: 25 °C | (1) ACD |
Massaning ichki eruvchanligi | 5,6 x 10-6 g/l | Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,6 x 10-5 g/l | pH 1; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 7,3 x 10-6 g/l | pH 2; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,8 x 10-6 g/l | pH 3; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,6 x 10-6 g/l | pH 4; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,6 x 10-6 g/l | pH 5; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,7 x 10-6 g/l | pH 6; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 7,0 x 10-6 g/L | pH 7; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Ommaviy eruvchanlik | 1,9 x 10-5 g/l | pH 8; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,2 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 | 7,0 x 10-6 g/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molar ichki eruvchanligi | 7,6 x 10-9 mol/L | Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,6 x 10-8 mol/l | pH 1; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,0 x 10-8 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 7,9 x 10-9 mol/L | pH 3; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 7,7 x 10-9 mol/L | pH 4; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 7,7 x 10-9 mol/L | pH 5; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 7,8 x 10-9 mol/L | pH 6; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 9,6 x 10-9 mol/L | pH 7; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,6 x 10-8 mol/L | pH 8; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,6 x 10-7 mol/l | pH 9; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 5,5 x 10-7 mol/l | pH 10; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 9,5 x 10-9 mol/l | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 731,79 | ||
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 | 1,31±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
Molyar hajm | 556,9±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 | 15 | (1) ACD | |
H qabul qiluvchilar | 13 | (1) ACD | |
H Donorlar | 2 | (1) ACD | |
H Donor/akseptor summasi | 15 | (1) ACD | |
Mulk | Qiymat | Vaziyat | Manba |
logP | 7,109±0,766 | Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 731,79 |
(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 | 148 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