![C20H31NO5 asidra heptanoika, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C20H31NO5 asidra heptanoika, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301 Sary nasongadina](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20H31NO5 asidra heptanoika, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301
| Toetra ara-batana fototra | sarobidy | toe-javatra |
| Lanja molekiola | 365.46 | - |
| Teboka mangotraka (voavinavina) | 504.1±50.0 °C | Press: 760 Torr |
| Density (voavinavina) | 1,091±0,06 g/cm3 | Mafana: 20 °C; Press: 760 Torr |
| pKa (voavinavina) | 11.82±0.46 | Mafana asidra indrindra: 25 °C |
SMILES Canonical O=C(OCC=1C=CC=CC1)NC(C(O)CC(=O)OC(C)(C)C)C(C)CC
SMILES Isomerique [C@H]([C@@H](CC(OC(C)(C)C)=O)O)(NC(OCC1=CC=CC=C1)=O)[C@H](CC)C
InChI
InChI=1S/C20H31NO5/c1-6-14(2)18(16(22)12-17(23)26-20(3,4)5)21- 19(24)25-13-15-10-8-7-9-11-15/h7-11,14,16,18,22H,6,12-13H2,1-5 H3,(H,21,24)/t14-,16+,18-/m0/s1
InChI Key
AZTSBAWJROLRIQ-LESCRADOSA-N
| Properties misy |
| niteraka |
| simika |
| hakitroky |
| Lipinski |
| Structure Related |
| mafana |
niteraka
| NY FANANANA | sarobidy | toe-javatra | Source |
| Bioconcentration Factor | 616 | pH 1; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 617 | pH 2; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 617 | pH 3; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 617 | pH 4; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 617 | pH 5; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 617 | pH 6; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 617 | pH 7; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 617 | pH 8; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 616 | pH 9; Mafana: 25 °C | (1) ACD |
| Bioconcentration Factor | 604 | 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 | 3450 | pH 1; Mafana: 25 °C | (1) ACD |
| Koc | 3460 | pH 2; Mafana: 25 °C | (1) ACD |
| Koc | 3460 | pH 3; Mafana: 25 °C | (1) ACD |
| Koc | 3460 | pH 4; Mafana: 25 °C | (1) ACD |
| Koc | 3460 | pH 5; Mafana: 25 °C | (1) ACD |
| Koc | 3460 | pH 6; Mafana: 25 °C | (1) ACD |
| Koc | 3460 | pH 7; Mafana: 25 °C | (1) ACD |
| Koc | 3460 | pH 8; Mafana: 25 °C | (1) ACD |
| Koc | 3450 | pH 9; Mafana: 25 °C | (1) ACD |
| Koc | 3390 | pH 10; Mafana: 25 °C | (1) ACD |
| logD | 3.97 | pH 1; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| logD | 3.97 | pH 2; Mafana: 25 °C | (1) ACD |
| logD | 3.97 | pH 3; Mafana: 25 °C | (1) ACD |
| logD | 3.97 | pH 4; Mafana: 25 °C | (1) ACD |
| logD | 3.97 | pH 5; Mafana: 25 °C | (1) ACD |
| logD | 3.97 | pH 6; Mafana: 25 °C | (1) ACD |
| logD | 3.97 | pH 7; Mafana: 25 °C | (1) ACD |
| logD | 3.97 | pH 8; Mafana: 25 °C | (1) ACD |
| logD | 3.97 | pH 9; Mafana: 25 °C | (1) ACD |
| logD | 3.96 | pH 10; Mafana: 25 °C | (1) ACD |
| logP | 3,974±0,543 | Mafana: 25 °C | (1) ACD |
| Faobe Intrinsic Solubility | 0,062 g/L | Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,062 g/L | pH 1; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,062 g/L | pH 2; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,062 g/L | pH 3; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,062 g/L | pH 4; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,062 g/L | pH 5; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,062 g/L | pH 6; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,062 g/L | pH 7; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,062 g/L | pH 8; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,062 g/L | pH 9; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,062 g/L | pH 10; Mafana: 25 °C | (1) ACD |
| Mass Solubility | 0,062 g/L | Rano tsy voaaro pH 6.99; Mafana: 25 °C | (1) ACD |
| Molar intrinsic solubility | 1,7 x 10-4 mol/L | Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,7 x 10-4 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,7 x 10-4 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,7 x 10-4 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,7 x 10-4 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,7 x 10-4 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,7 x 10-4 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,7 x 10-4 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,7 x 10-4 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,7 x 10-4 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
| NY FANANANA | sarobidy | toe-javatra | Source |
| Molar Solubility | 1,7 x 10-4 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
| Molar Solubility | 1,7 x 10-4 mol/L | Rano tsy voaaro pH 6.99; Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 365.46 | ||
| pKa | 11.82±0.46 | Mafana asidra indrindra: 25 °C | (1) ACD |
| pKa | -1,56±0,70 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
| Fanerena ny etona | 5.56 x 10-11 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 | 1,091±0,06 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
| Boky molar | 334.7±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 | 12 | (1) ACD | |
| H Acceptors | 6 | (1) ACD | |
| H Mpanome | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 8 | (1) ACD | |
| logP | 3,974±0,543 | Mafana: 25 °C | (1) ACD |
| Lanja molekiola | 365.46 |
(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 | 84.9 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 | 504.1±50.0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy de evaporation | 81,44±3,0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash point | 258,6±30,1 °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 |
| H301 | Poizina raha atelina | Fanasokajiana sy fametahana marika - Fanasokajiana sy fametahana fampandrenesana - Fampandrenesana mahazatra indrindra, Fanasokajiana sy fametahana marika - Fampandrenesana lehibe indrindra. |
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