C33H39N5O6 L-Ornitinamid, N-[(9H-fluoren-9-ilmetoksi)karbonil]-L-valil-N5- (aminokarbonil)-N-[4-(gidroksimetil)fenil]- (9CI, ACI)
Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
Molekulyar og'irlik | 601.69 | - |
Qaynoq nuqtasi (taxmin qilingan) | 914,2±65,0 °C | Matbuot: 760 Torr |
Zichlik (taxmin qilingan) | 1,276±0,06 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr |
pKa (taxmin qilingan) | 10,63±0,46 | Eng kislotali harorat: 25 °C |
Kanonik tabassum O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)NC(C(=O)NC4=CC=C(C=C4)CO)CCCNC(=O) )N)C(C)C
Izomerik tabassum C(OC(N[C@H](C(N[C@H](C(NC1=CC=C(CO)C=C1)=O) CCCNC(N)=O)=O)[ C@H](C)C)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChI
InChI=1S/C33H39N5O6/c1-20(2)29(38-33(43)44-19-27-25-10-5-3-8-23(25)24-9-4-6-11- 26(24)27)31(41)37-28(12-7-17-35- 32(34)42)30(40)36-22-15-13-21(18-39)14-16- 22/h3-6,8-11,13-16,20,27-29,39H,7,12,17-19H2,1-2H3,(H,36,40)(H,37,41)(H) ,38,43)(H3,34,3
5,42)/t28-,29-/m0/s1
InChI kaliti
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Ushbu moddaning boshqa nomi
N-[(9H-Ftoren-9-ilmetoksi)karbonil]-L-valil-N5-(aminokarbonil)-N-[4-(gidroksimetil)fenil]-L-ornitinamid (ACI)
Spektrlar mavjud
1H NMR
13C NMR
Xususiyatlari mavjud |
Biologik |
Kimyoviy |
Zichlik |
Lipinskiy |
Tuzilishi bilan bog'liq |
Termal |
Biologik
Mulk | Qiymat | Vaziyat | Manba |
Biokonsentratsiya omili | 809 | pH 1; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 912 | pH 2; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 923 | pH 3; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 924 | pH 4; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 924 | pH 5; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 924 | pH 6; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 924 | pH 7; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 922 | pH 8; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 903 | pH 9; Harorat: 25 °C | (1) ACD |
Biokonsentratsiya omili | 750 | 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 | 4040 | pH 1; Harorat: 25 °C | (1) ACD |
Koch | 4550 | pH 2; Harorat: 25 °C | (1) ACD |
Koch | 4610 | pH 3; Harorat: 25 °C | (1) ACD |
Koch | 4620 | pH 4; Harorat: 25 °C | (1) ACD |
Koch | 4620 | pH 5; Harorat: 25 °C | (1) ACD |
Koch | 4620 | pH 6; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Koch | 4620 | pH 7; Harorat: 25 °C | (1) ACD |
Koch | 4610 | pH 8; Harorat: 25 °C | (1) ACD |
Koch | 4510 | pH 9; Harorat: 25 °C | (1) ACD |
Koch | 3740 | pH 10; Harorat: 25 °C | (1) ACD |
logD | 4.15 | pH 1; Harorat: 25 °C | (1) ACD |
logD | 4.20 | pH 2; Harorat: 25 °C | (1) ACD |
logD | 4.20 | pH 3; Harorat: 25 °C | (1) ACD |
logD | 4.20 | pH 4; Harorat: 25 °C | (1) ACD |
logD | 4.21 | pH 5; Harorat: 25 °C | (1) ACD |
logD | 4.21 | pH 6; Harorat: 25 °C | (1) ACD |
logD | 4.20 | pH 7; Harorat: 25 °C | (1) ACD |
logD | 4.20 | pH 8; Harorat: 25 °C | (1) ACD |
logD | 4.19 | pH 9; Harorat: 25 °C | (1) ACD |
logD | 4.11 | pH 10; Harorat: 25 °C | (1) ACD |
logP | 4,206±0,767 | Harorat: 25 °C | (1) ACD |
Massaning ichki eruvchanligi | 1,7 x 10-4 g/l | Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,0 x 10-4 g/L | pH 1; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,7 x 10-4 g/l | pH 2; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,7 x 10-4 g/l | pH 3; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,7 x 10-4 g/l | pH 4; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,7 x 10-4 g/l | pH 5; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,7 x 10-4 g/l | pH 6; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,7 x 10-4 g/l | pH 7; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,7 x 10-4 g/l | pH 8; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,7 x 10-4 g/l | pH 9; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 2,1 x 10-4 g/L | pH 10; Harorat: 25 °C | (1) ACD |
Ommaviy eruvchanlik | 1,7 x 10-4 g/l | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molar ichki eruvchanligi | 2,9 x 10-7 mol/L | Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,3 x 10-7 mol/L | pH 1; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,9 x 10-7 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,9 x 10-7 mol/L | pH 3; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,9 x 10-7 mol/L | pH 4; Harorat: 25 °C | (1) ACD |
Mulk | Qiymat | Vaziyat | Manba |
Molyar eruvchanlik | 2,9 x 10-7 mol/L | pH 5; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,9 x 10-7 mol/L | pH 6; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,9 x 10-7 mol/L | pH 7; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,9 x 10-7 mol/L | pH 8; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,9 x 10-7 mol/L | pH 9; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 3,5 x 10-7 mol/l | pH 10; Harorat: 25 °C | (1) ACD |
Molyar eruvchanlik | 2,9 x 10-7 mol/L | Bufersiz suv pH 7.00; Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 601.69 | ||
pKa | 10,63±0,46 | Eng kislotali harorat: 25 °C | (1) ACD |
pKa | 0,13±0,50 | Eng asosiy harorat: 25 °C | (1) ACD |
Bug 'bosimi | 0 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 | 1,276±0,06 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
Molyar hajm | 471,2±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 | 15 | (1) ACD | |
H qabul qiluvchilar | 11 | (1) ACD | |
H Donorlar | 7 | (1) ACD | |
H Donor/akseptor summasi | 18 | (1) ACD | |
logP | 4,206±0,767 | Harorat: 25 °C | (1) ACD |
Molekulyar og'irlik | 601.69 |
(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 | 172 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 | 914,2±65,0 °C | Matbuot: 760 Torr | (1) ACD |
Bug'lanish entalpiyasi | 139,25±3,0 kJ/mol | Matbuot: 760 Torr | (1) ACD |
O't olish nuqtasi | 506,7±34,3 °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