![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmetoksi)karboniel]-L-valiel-N5- (aminokarboniel)-N-[4-(hidroksimetiel)feniel]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmetoksi)karboniel]-L-valiel-N5- (aminokarboniel)-N-[4-(hidroksimetiel)feniel]- (9CI, ACI) Uitgestalte beeld](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmetoksi)karboniel]-L-valiel-N5- (aminokarboniel)-N-[4-(hidroksimetiel)feniel]- (9CI, ACI)
| Sleutel Fisiese Eienskappe | Waarde | Toestand |
| Molekulêre gewig | 601,69 | - |
| Kookpunt (voorspel) | 914,2±65,0 °C | Druk: 760 Torr |
| Digtheid (voorspel) | 1,276±0,06 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Voorspel) | 10,63±0,46 | Mees suur Temp: 25 °C |
Kanoniese SMILES 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
Isomere GLIMLAG 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-sleutel
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Ander naam vir hierdie stof
N-[(9H-Fluoren-9-ylmetoksi)karboniel]-L-valiel-N5-(aminokarboniel)-N-[4-(hidroksimetiel)feniel]-L-ornitinamied (ACI)
Spektra beskikbaar
1H KMR
13C KMR
| Eiendomme beskikbaar |
| Biologiese |
| Chemiese |
| Digtheid |
| Lipinski |
| Struktuurverwant |
| Termies |
Biologiese
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 809 | pH 1; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 912 | pH 2; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 923 | pH 3; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 924 | pH 4; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 924 | pH 5; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 924 | pH 6; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 924 | pH 7; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 922 | pH 8; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 903 | pH 9; Temp: 25 °C | (1) ACD |
| Biokonsentrasiefaktor | 750 | pH 10; Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Chemiese
| Eiendom | Waarde | Toestand | Bron |
| Koc | 4040 | pH 1; Temp: 25 °C | (1) ACD |
| Koc | 4550 | pH 2; Temp: 25 °C | (1) ACD |
| Koc | 4610 | pH 3; Temp: 25 °C | (1) ACD |
| Koc | 4620 | pH 4; Temp: 25 °C | (1) ACD |
| Koc | 4620 | pH 5; Temp: 25 °C | (1) ACD |
| Koc | 4620 | pH 6; Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Koc | 4620 | pH 7; Temp: 25 °C | (1) ACD |
| Koc | 4610 | pH 8; Temp: 25 °C | (1) ACD |
| Koc | 4510 | pH 9; Temp: 25 °C | (1) ACD |
| Koc | 3740 | pH 10; Temp: 25 °C | (1) ACD |
| logD | 4.15 | pH 1; Temp: 25 °C | (1) ACD |
| logD | 4.20 | pH 2; Temp: 25 °C | (1) ACD |
| logD | 4.20 | pH 3; Temp: 25 °C | (1) ACD |
| logD | 4.20 | pH 4; Temp: 25 °C | (1) ACD |
| logD | 4.21 | pH 5; Temp: 25 °C | (1) ACD |
| logD | 4.21 | pH 6; Temp: 25 °C | (1) ACD |
| logD | 4.20 | pH 7; Temp: 25 °C | (1) ACD |
| logD | 4.20 | pH 8; Temp: 25 °C | (1) ACD |
| logD | 4.19 | pH 9; Temp: 25 °C | (1) ACD |
| logD | 4.11 | pH 10; Temp: 25 °C | (1) ACD |
| logP | 4,206±0,767 | Temp: 25 °C | (1) ACD |
| Massa Intrinsieke Oplosbaarheid | 1,7 x 10-4 g/L | Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 2,0 x 10-4 g/L | pH 1; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,7 x 10-4 g/L | pH 2; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,7 x 10-4 g/L | pH 3; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,7 x 10-4 g/L | pH 4; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,7 x 10-4 g/L | pH 5; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,7 x 10-4 g/L | pH 6; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,7 x 10-4 g/L | pH 7; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,7 x 10-4 g/L | pH 8; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,7 x 10-4 g/L | pH 9; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 2,1 x 10-4 g/L | pH 10; Temp: 25 °C | (1) ACD |
| Massa Oplosbaarheid | 1,7 x 10-4 g/L | Ongebufferde water pH 7.00; Temp: 25 °C | (1) ACD |
| Molêre Intrinsieke Oplosbaarheid | 2,9 x 10-7 mol/L | Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 3,3 x 10-7 mol/L | pH 1; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,9 x 10-7 mol/L | pH 2; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,9 x 10-7 mol/L | pH 3; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,9 x 10-7 mol/L | pH 4; Temp: 25 °C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre Oplosbaarheid | 2,9 x 10-7 mol/L | pH 5; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,9 x 10-7 mol/L | pH 6; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,9 x 10-7 mol/L | pH 7; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,9 x 10-7 mol/L | pH 8; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,9 x 10-7 mol/L | pH 9; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 3,5 x 10-7 mol/L | pH 10; Temp: 25 °C | (1) ACD |
| Molêre Oplosbaarheid | 2,9 x 10-7 mol/L | Ongebufferde water pH 7.00; Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 601,69 | ||
| pKa | 10,63±0,46 | Mees suur Temp: 25 °C | (1) ACD |
| pKa | 0,13±0,50 | Mees Basiese Temp: 25 °C | (1) ACD |
| Dampdruk | 0 Torr | Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Digtheid
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,276±0,06 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 471,2±3,0 cm3/mol | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare verbande | 15 | (1) ACD | |
| H Aanvaarders | 11 | (1) ACD | |
| H Skenkers | 7 | (1) ACD | |
| H Skenker/Aanvaarder Som | 18 | (1) ACD | |
| logP | 4,206±0,767 | Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 601,69 |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Polêre Oppervlakte | 172 A2 | (1) ACD | |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Termies
| Eiendom | Waarde | Toestand | Bron |
| Kookpunt | 914,2±65,0 °C | Druk: 760 Torr | (1) ACD |
| Entalpie van verdamping | 139,25±3,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flitspunt | 506,7±34,3 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikbaar
1H KMR
13C KMR
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