ChemSpider 2D Image | N-(3-Methylbutanoyl)-L-Valyl-N-{(1s)-1-[(R)-[(1r)-1-Benzyl-2-Methoxy-2-Oxoethoxy](Hydroxy)phosphoryl]-3-Methylbutyl}-L-Valinamide | C30H50N3O8P

N-(3-Methylbutanoyl)-L-Valyl-N-{(1s)-1-[(R)-[(1r)-1-Benzyl-2-Methoxy-2-Oxoethoxy](Hydroxy)phosphoryl]-3-Methylbutyl}-L-Valinamide

  • Molecular FormulaC30H50N3O8P
  • Average mass611.707 Da
  • Monoisotopic mass611.333557 Da
  • ChemSpider ID394857
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

L-Valinamide, N-(3-methyl-1-oxobutyl)-L-valyl-N-[(1R)-1-[(S)-hydroxy[(1S)-2-methoxy-2-oxo-1-(phenylmethyl)ethoxy]phosphinyl]-3-methylbutyl]- [ACD/Index Name]
N-(3-Methylbutanoyl)-L-valyl-N-{(1R)-1-[(S)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]oxy}phosphoryl]-3-methylbutyl}-L-valinamid [German] [ACD/IUPAC Name]
N-(3-Methylbutanoyl)-L-valyl-N-{(1R)-1-[(S)-hydroxy{[(2S)-1-methoxy-1-oxo-3-phenyl-2-propanyl]oxy}phosphoryl]-3-methylbutyl}-L-valinamide [ACD/IUPAC Name]
N-(3-Méthylbutanoyl)-L-valyl-N-{(1R)-1-[(S)-hydroxy{[(2S)-1-méthoxy-1-oxo-3-phényl-2-propanyl]oxy}phosphoryl]-3-méthylbutyl}-L-valinamide [French] [ACD/IUPAC Name]
N-(3-Methylbutanoyl)-L-Valyl-N-{(1s)-1-[(R)-[(1r)-1-Benzyl-2-Methoxy-2-Oxoethoxy](Hydroxy)phosphoryl]-3-Methylbutyl}-L-Valinamide
1Z7
IVA-VAL-VAL-PLE-OPH

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.508
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.82
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 537.7±3.0 cm3

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