C34H39N3O8 Sitidin, 5'-O-[bis(4-metoksifenil)fenilmetil]-2'-O-(2-metoks yetil)-5-metil- (9CI, ACI)
Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
Molekulyar og'irlik | 617,69 | - |
Qaynash nuqtasi (taxmin qilingan) | 762,6±70,0 °C | Matbuot: 760 Torr |
Zichlik (taxmin qilingan) | 1,27±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr |
pKa (taxmin qilingan) | 13,31±0,70 | Eng kislotali harorat: 25 °C |
Kanonik tabassum O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5) C(O)C2OCCOC)C
Izomerik tabassum C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2 )(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19-18-40-2)29(38)28(45-32) 21-44-34(23-8-6-5-7-9-23,24-10-14-26(4 1-3)15-11-24)25-12-16-27(42-4) )17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1-4H3,(H2,35,36,39)/t28-,29-,30-, 32-/m1/s1
InChI kaliti
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Ushbu moddaning boshqa nomlari
5'-O-[Bis(4-metoksifenil)fenilmetil]-2'-O-(2-metoksietil)-5-metilsitidin (ACI); 11: PN: US20030170636 PAGE: 17 da'vo qilingan RNK; 12: PN: US20030211606 PAGE: 18 da'vo qilingan R NA; 12: PN: US20030212017 PAGE: 19 da'vo qilingan R NA; 14: PN: US20040005569 PAG E: 21 da'vo qilingan R NA; 15: PN: US20040005565 PAGE: 17- 22 da'vo qilingan RNK; 15: PN: US20040005570 PAGE: 19 da'vo qilingan R NA; 15: PN: U S20040006030 PAGE: 22 da'vo qilingan R NA; 15: PN: US20040014048 PAGE: 19 da'vo qilingan R NA; 16: PN: US20030171313 PAGE: 9 da'vo qilingan RNK; 16: PN: US20030198965 PAGE: 19 da'vo qilingan R NA; 16: PN: US20040014047 PAGE: 19 da'vo qilingan R NA; 16: PN: US20040014049 SAHIFA:
19 da'vo qilingan RNK; 17: PN: US20040014051 PAGE: 21 da'vo qilingan R NA; 17: PN: US20040014699 PAGE: 19 da'vo qilingan R NA; 17: PN: V
O03106645 PAGE: 69 da'vo qilingan R NA; 18: PN: US20040006029 PAGE: 22 da'vo qilingan R NA; 2'-O-metoksietil-5'-O-dimetoksitritil-5-metilsitidin; 58: PN: US20030166592 PAGE: 15 da'vo qilingan R NA; 5: PN: WO2005006958 PAGE: 61 da'vo qilingan R NA; 7: PN: WO20050 07825 PAGE: 61 da'vo qilingan R NA; 82: PN: US20040171566 PAGE: 18 da'vo qilingan R NA; 89: PN: US20040005707 PAGE: 19 da'vo qilingan R NA; 9: PN: WO03084478 PAGE: 56 da'vo qilingan R NA
Xususiyatlari mavjud |
Biologik |
Kimyoviy |
Zichlik |
Lipinskiy |
Tuzilishi bilan bog'liq |
Termal |
Biologik
Mulk | Qiymat | Vaziyat | Manba |
Biokonsentratsiya omili | 1.56 | pH 1; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 1.99 | pH 2; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 6.19 | pH 3; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 38,0 | pH 4; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 116 | pH 5; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 146 | pH 6; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 150 | pH 7; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 151 | pH 8; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 151 | pH 9; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 151 | 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 | 13.0 | pH 1; Harorat: 25 °C | (1) ACD |
Koch | 16.6 | pH 2; Harorat: 25 °C | (1) ACD |
Koch | 51.8 | pH 3; Harorat: 25 °C | (1) ACD |
Koch | 318 | pH 4; Harorat: 25 °C | (1) ACD |
Koch | 966 | pH 5; Harorat: 25 °C | (1) ACD |
Koch | 1220 | pH 6; Harorat: 25 °C | (1) ACD |
Koch | 1260 | pH 7; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Koch | 1260 | pH 8; Harorat: 25 °C | (1) ACD |
Koch | 1260 | pH 9; Harorat: 25 °C | (1) ACD |
Koch | 1260 | pH 10; Harorat: 25 °C | (1) ACD |
logD | 1.18 | pH 1; Harorat: 25 °C | (1) ACD |
logD | 1.29 | pH 2; Harorat: 25 °C | (1) ACD |
logD | 1.78 | pH 3; Harorat: 25 °C | (1) ACD |
logD | 2.57 | pH 4; Harorat: 25 °C | (1) ACD |
logD | 3.05 | pH 5; Harorat: 25 °C | (1) ACD |
logD | 3.16 | pH 6; Harorat: 25 °C | (1) ACD |
logD | 3.17 | pH 7; Harorat: 25 °C | (1) ACD |
logD | 3.17 | pH 8; Harorat: 25 °C | (1) ACD |
logD | 3.17 | pH 9; Harorat: 25 °C | (1) ACD |
logD | 3.17 | pH 10; Harorat: 25 °C | (1) ACD |
logP | 3,169±0,598 | Harorat: 25 °C | (1) ACD |
Massaning ichki eruvchanligi | 5,2 x 10-3 g/l | Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 0,51 g/l | pH 1; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 0,40 g/l | pH 2; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 0,13 g/l | pH 3; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 0,020 g/l | pH 4; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 6,8 x 10-3 g/L | pH 5; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,4 x 10-3 g/L | pH 6; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,3 x 10-3 g/l | pH 7; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,2 x 10-3 g/l | pH 8; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,2 x 10-3 g/l | pH 9; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,2 x 10-3 g/l | pH 10; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,3 x 10-3 g/l | Bufersiz suv pH 7,05; Harorat: 25 °C | (1) ACD |
Molar ichki eruvchanligi | 8,4 x 10-6 mol/L | Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 8,2 x 10-4 mol/L | pH 1; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 6,4 x 10-4 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,1 x 10-4 mol/L | pH 3; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,3 x 10-5 mol/L | pH 4; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,1 x 10-5 mol/L | pH 5; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Molyar eruvchanlik | 8,7 x 10-6 mol/L | pH 6; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 8,5 x 10-6 mol/l | pH 7; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 8,4 x 10-6 mol/L | pH 8; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 8,4 x 10-6 mol/L | pH 9; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 8,4 x 10-6 mol/L | pH 10; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 8,5 x 10-6 mol/l | Bufersiz suv pH 7,05; Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 617,69 | ||
pKa | 13,31±0,70 | Eng kislotali harorat: 25 °C | (1) ACD |
pKa | 4,58±0,10 | Eng asosiy harorat: 25 °C | (1) ACD |
Bug 'bosimi | 1,89 x 10-24 Torr | 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 | 1,27±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
Molyar hajm | 483,8±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 | 11 | (1) ACD | |
H Donorlar | 3 | (1) ACD | |
H Donor/akseptor summasi | 14 | (1) ACD | |
logP | 3,169±0,598 | Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 617,69 |
(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 | 134 A2 | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Termal
Mulk | Qiymat | Vaziyat | Manba |
Qaynash nuqtasi | 762,6±70,0 °C | Matbuot: 760 Torr | (1) ACD |
Bug'lanish entalpiyasi | 116,53±3,0 kJ/mol | Matbuot: 760 Torr | (1) ACD |
O't olish nuqtasi | 415,0±35,7 °C | (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