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![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI) Sary nasongadina](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 601.69 | - |
| Teboka mangotraka (voavinavina) | 914.2±65.0 °C | Press: 760 Torr |
| Density (voavinavina) | 1,276±0,06 g/cm3 | Mafana: 20 °C;Press: 760 Torr |
| pKa (voavinavina) | 10.63±0.46 | Mafana asidra indrindra: 25 °C |
SMILES Canonical 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
SMILES Isomerik 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 Key
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Anarana hafa amin'ity akora ity
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide (ACI)
Spectra misy
1H NMR
13C NMR
| Properties misy |
| niteraka |
| simika |
| hakitroky |
| Lipinski |
| Structure Related |
| mafana |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 809 | pH 1;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 912 | pH 2;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 923 | pH 3;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 924 | pH 4;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 924 | pH 5;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 924 | pH 6;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 924 | pH 7;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 922 | pH 8;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 903 | pH 9;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 750 | pH 10;Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
simika
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 4040 | pH 1;Mafana: 25 °C | (1) ACD |
| Koc | 4550 | pH 2;Mafana: 25 °C | (1) ACD |
| Koc | 4610 | pH 3;Mafana: 25 °C | (1) ACD |
| Koc | 4620 | pH 4;Mafana: 25 °C | (1) ACD |
| Koc | 4620 | pH 5;Mafana: 25 °C | (1) ACD |
| Koc | 4620 | pH 6;Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Koc | 4620 | pH 7;Mafana: 25 °C | (1) ACD |
| Koc | 4610 | pH 8;Mafana: 25 °C | (1) ACD |
| Koc | 4510 | pH 9;Mafana: 25 °C | (1) ACD |
| Koc | 3740 | pH 10;Mafana: 25 °C | (1) ACD |
| logD | 4.15 | pH 1;Mafana: 25 °C | (1) ACD |
| logD | 4.20 | pH 2;Mafana: 25 °C | (1) ACD |
| logD | 4.20 | pH 3;Mafana: 25 °C | (1) ACD |
| logD | 4.20 | pH 4;Mafana: 25 °C | (1) ACD |
| logD | 4.21 | pH 5;Mafana: 25 °C | (1) ACD |
| logD | 4.21 | pH 6;Mafana: 25 °C | (1) ACD |
| logD | 4.20 | pH 7;Mafana: 25 °C | (1) ACD |
| logD | 4.20 | pH 8;Mafana: 25 °C | (1) ACD |
| logD | 4.19 | pH 9;Mafana: 25 °C | (1) ACD |
| logD | 4.11 | pH 10;Mafana: 25 °C | (1) ACD |
| logP | 4.206±0.767 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 1,7 x 10-4 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 2,0 x 10-4 g/L | pH 1;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,7 x 10-4 g/L | pH 2;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,7 x 10-4 g/L | pH 3;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,7 x 10-4 g/L | pH 4;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,7 x 10-4 g/L | pH 5;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,7 x 10-4 g/L | pH 6;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,7 x 10-4 g/L | pH 7;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,7 x 10-4 g/L | pH 8;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,7 x 10-4 g/L | pH 9;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 2,1 x 10-4 g/L | pH 10;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,7 x 10-4 g/L | Rano tsy voaaro pH 7.00;Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 2,9 x 10-7 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 3,3 x 10-7 mol/L | pH 1;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,9 x 10-7 mol/L | pH 2;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,9 x 10-7 mol/L | pH 3;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,9 x 10-7 mol/L | pH 4;Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Molar Solubility | 2,9 x 10-7 mol/L | pH 5;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,9 x 10-7 mol/L | pH 6;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,9 x 10-7 mol/L | pH 7;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,9 x 10-7 mol/L | pH 8;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,9 x 10-7 mol/L | pH 9;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 3,5 x 10-7 mol/L | pH 10;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2,9 x 10-7 mol/L | Rano tsy voaaro pH 7.00;Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 601.69 | ||
| pKa | 10.63±0.46 | Mafana asidra indrindra: 25 °C | (1) ACD |
| pKa | 0,13±0,50 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
| Fanerena ny etona | 0 Torr | Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
hakitroky
| NY FANANANA | sarobidy | toe-javatra | Source |
| hakitroky | 1,276±0,06 g/cm3 | Mafana: 20 °C;Press: 760 Torr | (1) ACD |
| Boky molar | 471.2±3.0 cm3/mol | Mafana: 20 °C;Press: 760 Torr | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| NY FANANANA | sarobidy | toe-javatra | Source |
| Fatorana azo ahodina malalaka | 15 | (1) ACD | |
| H Acceptors | 11 | (1) ACD | |
| H Mpanome | 7 | (1) ACD | |
| H Donor/Acceptor Sum | 18 | (1) ACD | |
| logP | 4.206±0.767 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 601.69 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Structure Related
| NY FANANANA | sarobidy | toe-javatra | Source |
| Faritra ambonin'ny polar | 172 A2 | (1) ACD | |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
mafana
| NY FANANANA | sarobidy | toe-javatra | Source |
| Teboka mangotraka | 914.2±65.0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy de evaporation | 139.25±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash point | 506,7±34,3 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1H NMR
13C NMR
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