C38H37N3O8 Hali tayinlanmagan
Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
Molekulyar og'irlik | 663,72 | - |
Zichlik (taxmin qilingan) | 1,304±0,06 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr |
pKa (taxmin qilingan) | 8,27±0,10 | Eng kislotali harorat: 25 °C |
Kanonik tabassum O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5 )C6=CC=C(OC)C=C6)C(O)C3
Izomerik tabassum
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC3=CC=CC=C3)=O)C(=O)NC2=O) (C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C 6
InChI
InChI=1S/C38H37N3O8/c1-46-29-17-13-27(14-18-29)38(26-11-7-4-8) -12-26,28-15-19-30(47-2)20-16-28)48-24-33-32(42)21-34(49-33)4 1-23-31(36(44)40-37(41)45)35(43)39-22-25-9-5-3-6-10-25/h3-20,23,32-34, 42H,21-22,24H2,1-2H3,(H,39,43)(H,40,44,45)/t32-
,33+,34+/m0/s1
InChI kaliti
NZBGRVLZISPURB-LBFZIJHGSA-N
Xususiyatlari mavjud |
Biologik |
Xususiyatlari mavjud |
Kimyoviy |
Zichlik |
Lipinskiy |
Tuzilishi bilan bog'liq |
Biologik
Mulk | Qiymat | Vaziyat | Manba |
Biokonsentratsiya omili | 5250 | pH 1; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 5250 | pH 2; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 5260 | pH 3; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 5260 | pH 4; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 5250 | pH 5; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 5200 | pH 6; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 4720 | pH 7; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 2460 | pH 8; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 466 | pH 9; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 96.9 | 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 | 16000 | pH 1; Harorat: 25 °C | (1) ACD |
Koch | 16000 | pH 2; Harorat: 25 °C | (1) ACD |
Koch | 16000 | pH 3; Harorat: 25 °C | (1) ACD |
Koch | 16000 | pH 4; Harorat: 25 °C | (1) ACD |
Koch | 16000 | pH 5; Harorat: 25 °C | (1) ACD |
Koch | 15800 | pH 6; Harorat: 25 °C | (1) ACD |
Koch | 14400 | pH 7; Harorat: 25 °C | (1) ACD |
Koch | 7510 | pH 8; Harorat: 25 °C | (1) ACD |
Koch | 1420 | pH 9; Harorat: 25 °C | (1) ACD |
Koch | 296 | pH 10; Harorat: 25 °C | (1) ACD |
logD | 5.20 | pH 1; Harorat: 25 °C | (1) ACD |
logD | 5.20 | pH 2; Harorat: 25 °C | (1) ACD |
logD | 5.20 | pH 3; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
logD | 5.20 | pH 4; Harorat: 25 °C | (1) ACD |
logD | 5.20 | pH 5; Harorat: 25 °C | (1) ACD |
logD | 5.19 | pH 6; Harorat: 25 °C | (1) ACD |
logD | 5.15 | pH 7; Harorat: 25 °C | (1) ACD |
logD | 4.87 | pH 8; Harorat: 25 °C | (1) ACD |
logD | 4.15 | pH 9; Harorat: 25 °C | (1) ACD |
logD | 3.46 | pH 10; Harorat: 25 °C | (1) ACD |
logP | 5,198±0,644 | Harorat: 25 °C | (1) ACD |
Massaning ichki eruvchanligi | 9,3 x 10-6 g/l | Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 9,3 x 10-6 g/l | pH 1; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 9,3 x 10-6 g/l | pH 2; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 9,3 x 10-6 g/l | pH 3; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 9,3 x 10-6 g/l | pH 4; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 9,3 x 10-6 g/l | pH 5; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 9,3 x 10-6 g/l | pH 6; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,1 x 10-5 g/L | pH 7; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,0 x 10-5 g/L | pH 8; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,1 x 10-4 g/L | pH 9; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,1 x 10-4 g/L | pH 10; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,1 x 10-5 g/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molar ichki eruvchanligi | 1,4 x 10-8 mol/l | Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,4 x 10-8 mol/l | pH 1; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,4 x 10-8 mol/l | pH 2; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,4 x 10-8 mol/l | pH 3; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,4 x 10-8 mol/l | pH 4; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,4 x 10-8 mol/l | pH 5; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,4 x 10-8 mol/l | pH 6; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,6 x 10-8 mol/l | pH 7; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,0 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 | 7,7 x 10-7 mol/L | pH 10; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,6 x 10-8 mol/l | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Molekulyar og'irlik | 663,72 | ||
pKa | 8,27±0,10 | Eng kislotali harorat: 25 °C | (1) ACD |
pKa | -1,66±0,20 | 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 | 1,304±0,06 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
Molyar hajm | 508,6±3,0 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 | 13 | (1) ACD | |
H qabul qiluvchilar | 11 | (1) ACD | |
H Donorlar | 3 | (1) ACD | |
H Donor/akseptor summasi | 14 | (1) ACD | |
logP | 5,198±0,644 | Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 663,72 |
(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 | 136 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