C33H39N5O6 L-Ornitinamid, N-[(9H-fluoren-9-ilmetoksi)karbonil]-L-valil-N5- (aminokarbonil)-N-[4-(gidroksimetil)fenil]- (9CI, ACI)

mahsulot

C33H39N5O6 L-Ornitinamid, N-[(9H-fluoren-9-ilmetoksi)karbonil]-L-valil-N5- (aminokarbonil)-N-[4-(gidroksimetil)fenil]- (9CI, ACI)

Asosiy ma'lumotlar:


Mahsulot detali

Mahsulot teglari

Jismoniy xususiyatlar

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

Boshqa ismlar va identifikatorlar

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)

Eksperimental spektrlar

Spektrlar mavjud
1H NMR
13C NMR

Bashorat qilingan xususiyatlar

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)

Bashorat qilingan spektrlar

Spektrlar mavjud
1H NMR
13C NMR


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