![L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302 Sary nasongadina](https://cdn.globalso.com/nvchem/L-Ornithinamide.jpg)
L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 379.45 | - |
| Teboka mangotraka (voavinavina) | 715.0±60.0 °C | Press: 760 Torr |
| Density (voavinavina) | 1,243±0,06 g/cm3 | Mafana: 20 °C;Press: 760 Torr |
| pKa (voavinavina) | 13.75±0.46 | Mafana asidra indrindra: 25 °C |
SMILES Canonical O=C(N)NCCCCC(NC(=O)C(N)C(C)C)C(=O)NC1=CC=C(C=C1)CO
SMILES Isomerika [C@@H](NC([C@H](C(C)N)=O)(C(NC1=CC=C(CO)C=C1)=O)CCCNC(N) =O
InChI
InChI=1S/C18H29N5O4/c1-11(2)15(19)17(26)23-14(4-3-9-21-18(20)27)16(25)22-13-7-5- 12(10-24)6-8-13/h5-8,11,14-15,24H,3-4,9-10,19 H2,1-2H3,(H,22,25)(H,23 ,26)(H3,20,21,27)/t14-,15-/m0/s1
InChI Key
VEGGTWZUZGZKHY-GJZGRUSLSA-N
4 Anarana hafa ho an'ity akora ity
L-Valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide (ACI);1: PN: WO2023061224 PEJY: 34 filaharana voalaza;Valine-Citrulline-p- Aminobenzylcarbamate;Vc-PAB
| Properties misy |
| niteraka |
| simika |
| hakitroky |
| Lipinski |
| Structure Related |
| mafana |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 1.0 | pH 1;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9;Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | 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 | 1.0 | pH 1;Mafana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2;Mafana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 3;Mafana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 4;Mafana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 5;Mafana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 6;Mafana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 7;Mafana: 25 °C | (1) ACD |
| Koc | 6.00 | pH 8;Mafana: 25 °C | (1) ACD |
| Koc | 13.2 | pH 9;Mafana: 25 °C | (1) ACD |
| Koc | 15.0 | pH 10;Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| logD | -3.53 | pH 1;Mafana: 25 °C | (1) ACD |
| logD | -3.46 | pH 2;Mafana: 25 °C | (1) ACD |
| logD | -3.45 | pH 3;Mafana: 25 °C | (1) ACD |
| logD | -3.42 | pH 4;Mafana: 25 °C | (1) ACD |
| logD | -3.20 | pH 5;Mafana: 25 °C | (1) ACD |
| logD | -2.50 | pH 6;Mafana: 25 °C | (1) ACD |
| logD | -1.57 | pH 7;Mafana: 25 °C | (1) ACD |
| logD | -0.76 | pH 8;Mafana: 25 °C | (1) ACD |
| logD | -0.42 | pH 9;Mafana: 25 °C | (1) ACD |
| logD | -0.36 | pH 10;Mafana: 25 °C | (1) ACD |
| logP | -0,354±0,602 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 1,6 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1000 g/L | pH 1;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1000 g/L | pH 2;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1000 g/L | pH 3;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1000 g/L | pH 4;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1000 g/L | pH 5;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 220 g/L | pH 6;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 26 g/L | pH 7;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 4,2 g/L | pH 8;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,9 g/L | pH 9;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,6 g/L | pH 10;Mafana: 25 °C | (1) ACD |
| Mass Solubility | 1,6 g/L | Rano tsy voaaro pH 9.89;Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 4,2 x 10-3 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 1;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 2;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 3;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 4;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 2.64 mol/L | pH 5;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 0,59 mol/L | pH 6;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 0,069 mol/L | pH 7;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 0,011 mol/L | pH 8;Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Molar Solubility | 4,9 x 10-3 mol/L | pH 9;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 4,3 x 10-3 mol/L | pH 10;Mafana: 25 °C | (1) ACD |
| Molar Solubility | 4,3 x 10-3 mol/L | Rano tsy voaaro pH 9.89;Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 379.45 | ||
| pKa | 13.75±0.46 | Mafana asidra indrindra: 25 °C | (1) ACD |
| pKa | 8.19±0.33 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
| Fanerena ny etona | 1.86 x 10-21 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 | 1,243±0,06 g/cm3 | Mafana: 20 °C;Press: 760 Torr | (1) ACD |
| Boky molar | 305.2±3.0cm3/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 | 12 | (1) ACD | |
| H Acceptors | 9 | (1) ACD | |
| H Mpanome | 8 | (1) ACD | |
| H Donor/Acceptor Sum | 17 | (1) ACD | |
| logP | -0,354±0,602 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 379.45 |
(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 | 160 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 | 715.0±60.0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy de evaporation | 109.72±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash point | 386,2±32,9 °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
| fehezan-dalàna | Fanambarana loza | Source |
| H335 | Mety hiteraka fahasosorana taovam-pisefoana | Fanasokajiana sy fametahana marika - Fanasokajiana sy fametahana fampandrenesana - Fampandrenesana mahazatra indrindra, Fanasokajiana sy fametahana marika - Fampandrenesana lehibe indrindra. |
| H319 | Miteraka fahasorenana mafy ny maso | Fanasokajiana sy fametahana marika - Fanasokajiana sy fametahana fampandrenesana - Fampandrenesana mahazatra indrindra, Fanasokajiana sy fametahana marika - Fampandrenesana lehibe indrindra. |
| H315 | Mahatonga fahasosorana amin'ny hoditra | Fanasokajiana sy fametahana marika - Fanasokajiana sy fametahana fampandrenesana - Fampandrenesana mahazatra indrindra, Fanasokajiana sy fametahana marika - Fampandrenesana lehibe indrindra. |
| H302 | Manimba raha atelina | Fanasokajiana sy fametahana marika - Fanasokajiana sy fametahana fampandrenesana - Fampandrenesana mahazatra indrindra, Fanasokajiana sy fametahana marika - Fampandrenesana lehibe indrindra. |
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