C42H39N3O8 Hali tayinlanmagan
Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
Molekulyar og'irlik | 713.78 | - |
Zichlik (taxmin qilingan) | 1,315±0,06 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr |
pKa (taxmin qilingan) | 8,23±0,10 | Eng kislotali harorat: 25 °C |
Kanonik tabassum O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(COC(C=5C=CC=CC5)(C6=CC=C(OC) )C=C6)C7=CC=C(OC)C=C7)C(O)C4
Izomerik tabassum
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(NCC=3C4=C(C=CC3)C=CC=C4)=O)C (=O)NC2=O)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C 7=CC=CC=C7
InChI
InChI=1S/C42H39N3O8/c1-50-32-19-15-30(16-20-32)42(29-12-4-3-5-13-29,31-17-21-33(51-) 2)22-18-31)52-26-37-36(46)23-38(53-37)4 5-25-35(40(48)44-41(45)49)39(47)43 -24-28-11-8-10-27-9-6-7-14-34(27)28/h3-22,25,36-38,46H,23-24,26H2,1-2H3,( H,43,47) (H,44,48,49)/t36-,37+,38+/m0/s1
InChI kaliti
HDUMRQQRYJOBFS-YXWIYCFASA-N
Xususiyatlari mavjud |
Biologik |
Xususiyatlari mavjud |
Kimyoviy |
Zichlik |
Lipinskiy |
Tuzilishi bilan bog'liq |
Biologik
Mulk | Qiymat | Vaziyat | Manba |
Biokonsentratsiya omili | 41700 | pH 1; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 41700 | pH 2; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 41700 | pH 3; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 41700 | pH 4; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 41700 | pH 5; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 41200 | pH 6; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 36900 | pH 7; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 18100 | pH 8; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 3290 | pH 9; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 718 | 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 | 70600 | pH 1; Harorat: 25 °C | (1) ACD |
Koch | 70600 | pH 2; Harorat: 25 °C | (1) ACD |
Koch | 70600 | pH 3; Harorat: 25 °C | (1) ACD |
Koch | 70600 | pH 4; Harorat: 25 °C | (1) ACD |
Koch | 70500 | pH 5; Harorat: 25 °C | (1) ACD |
Koch | 69700 | pH 6; Harorat: 25 °C | (1) ACD |
Koch | 62400 | pH 7; Harorat: 25 °C | (1) ACD |
Koch | 30600 | pH 8; Harorat: 25 °C | (1) ACD |
Koch | 5560 | pH 9; Harorat: 25 °C | (1) ACD |
Koch | 1210 | pH 10; Harorat: 25 °C | (1) ACD |
logD | 6.38 | pH 1; Harorat: 25 °C | (1) ACD |
logD | 6.38 | pH 2; Harorat: 25 °C | (1) ACD |
logD | 6.38 | pH 3; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
logD | 6.38 | pH 4; Harorat: 25 °C | (1) ACD |
logD | 6.38 | pH 5; Harorat: 25 °C | (1) ACD |
logD | 6.38 | pH 6; Harorat: 25 °C | (1) ACD |
logD | 6.33 | pH 7; Harorat: 25 °C | (1) ACD |
logD | 6.02 | pH 8; Harorat: 25 °C | (1) ACD |
logD | 5.28 | pH 9; Harorat: 25 °C | (1) ACD |
logD | 4.62 | pH 10; Harorat: 25 °C | (1) ACD |
logP | 6,382±0,644 | Harorat: 25 °C | (1) ACD |
Massaning ichki eruvchanligi | 5,1 x 10-7 g/L | Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,1 x 10-7 g/L | pH 1; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,1 x 10-7 g/L | pH 2; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,1 x 10-7 g/L | pH 3; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,1 x 10-7 g/L | pH 4; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,1 x 10-7 g/L | pH 5; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,1 x 10-7 g/L | pH 6; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,7 x 10-7 g/l | pH 7; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,1 x 10-6 g/L | pH 8; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 6,4 x 10-6 g/l | pH 9; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,9 x 10-5 g/L | pH 10; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 5,7 x 10-7 g/l | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molar ichki eruvchanligi | 7,1 x 10-10 mol/L | Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 7,1 x 10-10 mol/L | pH 1; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 7,1 x 10-10 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 7,1 x 10-10 mol/L | pH 3; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 7,1 x 10-10 mol/L | pH 4; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 7,1 x 10-10 mol/L | pH 5; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 7,2 x 10-10 mol/L | pH 6; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 8,0 x 10-10 mol/L | pH 7; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 1,6 x 10-9 mol/L | pH 8; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 9,0 x 10-9 mol/L | pH 9; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 4,1 x 10-8 mol/L | pH 10; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 8,0 x 10-10 mol/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Molekulyar og'irlik | 713.78 | ||
pKa | 8,23±0,10 | Eng kislotali harorat: 25 °C | (1) ACD |
pKa | -1,90±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 | 1,315±0,06 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
Molyar hajm | 542,7±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 | 6,382±0,644 | Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 713.78 |
(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