ChemSpider 2D Image | lasinavir | C35H53N3O9

lasinavir

  • Molecular FormulaC35H53N3O9
  • Average mass659.810 Da
  • Monoisotopic mass659.378174 Da
  • ChemSpider ID408297
  • defined stereocentres - 4 of 4 defined stereocentres


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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(2S,3S,5R)-3-Hydroxy-6-({(2S)-1-[(2-méthoxyéthyl)amino]-3-méthyl-1-oxo-2-butanyl}amino)-6-oxo-1-phényl-5-(2,3,4-triméthoxybenzyl)-2-hexanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S,3S,5R)-3-hydroxy-6-({(2S)-1-[(2-methoxyethyl)amino]-3-methyl-1-oxo-2-butanyl}amino)-6-oxo-1-phenyl-5-(2,3,4-trimethoxybenzyl)-2-hexanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S,3S,5R)-3-hydroxy-6-({(2S)-1-[(2-methoxyethyl)amino]-3-methyl-1-oxo-2-butanyl}amino)-6-oxo-1-phenyl-5-(2,3,4-trimethoxybenzyl)-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,4R)-2-hydroxy-5-[[(1S)-1-[[(2-methoxyethyl)amino]carbonyl]-2-methylpropyl]amino]-5-oxo-1-(phenylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]pentyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
lasinavir [INN]
lasinavir [French] [INN]
lasinavir [Spanish] [INN]
lasinavirum [Latin] [INN]
tert-Butyl ((αS)-α-((1S,3R)-1-hydroxy-3-(((1S)-1-((2-methoxyethyl)carbamoyl)-2-methylpropyl)carbamoyl)-4-(2,3,4-trimethoxyphenyl)butyl)phenethyl)carbamate.
2-Oxa-5,8,14-triazapentadecan-15-oic acid, 12-hydroxy-7-(1-methylethyl)-6,9-dioxo-13-(phenylmethyl)-10-[(2,3,4-trimethoxyphenyl)methyl]-,1,1-dimethylethyl ester, (7S,10R,12S,13S)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS042995 [DBID]
AIDS-042995 [DBID]
CGP 61755 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 857.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.6±3.0 kJ/mol
Flash Point: 472.3±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 179.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1094.16
ACD/KOC (pH 5.5): 5211.61
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1094.12
ACD/KOC (pH 7.4): 5211.46
Polar Surface Area: 154 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 582.0±3.0 cm3

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