ChemSpider 2D Image | N-[(2R,4S,5S)-2-Benzyl-4-hydroxy-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenylhexanoyl]-L-valine | C29H40N2O6

N-[(2R,4S,5S)-2-Benzyl-4-hydroxy-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenylhexanoyl]-L-valine

  • Molecular FormulaC29H40N2O6
  • Average mass512.638 Da
  • Monoisotopic mass512.288635 Da
  • ChemSpider ID4587086

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Valine, N-[(2R,4S,5S)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl]- [ACD/Index Name]
N-[(2R,4S,5S)-2-Benzyl-4-hydroxy-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenylhexanoyl]-L-valin [German] [ACD/IUPAC Name]
N-[(2R,4S,5S)-2-Benzyl-4-hydroxy-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenylhexanoyl]-L-valine [ACD/IUPAC Name]
N-[(2R,4S,5S)-2-Benzyl-4-hydroxy-5-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-6-phénylhexanoyl]-L-valine [French] [ACD/IUPAC Name]
N-[5(S)-[(tert-Butoxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2(R)-(phenylmethyl)hexanoyl]valine

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

AIDS059630 [DBID]
AIDS-059630 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 752.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 408.6±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 141.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 9.68
ACD/KOC (pH 5.5): 41.53
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.72
Polar Surface Area: 125 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 442.9±3.0 cm3

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