ChemSpider 2D Image | Benzyl 2-[(1R)-1-{[(2S)-2-{[(cyclohexyloxy)carbonyl]oxy}-4-methylpentanoyl]amino}-2-(1-methyl-1H-indol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylate | C36H43N3O7

Benzyl 2-[(1R)-1-{[(2S)-2-{[(cyclohexyloxy)carbonyl]oxy}-4-methylpentanoyl]amino}-2-(1-methyl-1H-indol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylate

  • Molecular FormulaC36H43N3O7
  • Average mass629.742 Da
  • Monoisotopic mass629.310120 Da
  • ChemSpider ID8707437

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(1R)-1-{[(2S)-2-{[(Cyclohexyloxy)carbonyl]oxy}-4-méthylpentanoyl]amino}-2-(1-méthyl-1H-indol-3-yl)éthyl]-5-méthyl-1,3-oxazole-4-carboxylate de benzyle [French] [ACD/IUPAC Name]
4-Oxazolecarboxylic acid, 2-[(1R)-1-[[(2S)-2-[[(cyclohexyloxy)carbonyl]oxy]-4-methyl-1-oxopentyl]amino]-2-(1-methyl-1H-indol-3-yl)ethyl]-5-methyl-, phenylmethyl ester [ACD/Index Name]
Benzyl 2-[(1R)-1-{[(2S)-2-{[(cyclohexyloxy)carbonyl]oxy}-4-methylpentanoyl]amino}-2-(1-methyl-1H-indol-3-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxylate [ACD/IUPAC Name]
Benzyl-2-[(1R)-1-{[(2S)-2-{[(cyclohexyloxy)carbonyl]oxy}-4-methylpentanoyl]amino}-2-(1-methyl-1H-indol-3-yl)ethyl]-5-methyl-1,3-oxazol-4-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 804.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 440.5±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 173.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15939.95
ACD/KOC (pH 5.5): 35459.08
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15939.85
ACD/KOC (pH 7.4): 35458.84
Polar Surface Area: 122 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 502.8±7.0 cm3

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