ChemSpider 2D Image | Methyl (2S)-2-({[(1R)-1-[(N-formyl-L-valyl)amino]-2-(2-naphthyl)ethyl](hydroxy)phosphoryl}oxy)-3-phenylpropanoate | C28H33N2O7P

Methyl (2S)-2-({[(1R)-1-[(N-formyl-L-valyl)amino]-2-(2-naphthyl)ethyl](hydroxy)phosphoryl}oxy)-3-phenylpropanoate

  • Molecular FormulaC28H33N2O7P
  • Average mass540.545 Da
  • Monoisotopic mass540.202515 Da
  • ChemSpider ID395956

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-2-({[(1R)-1-[(N-Formyl-L-valyl)amino]-2-(2-naphtyl)éthyl](hydroxy)phosphoryl}oxy)-3-phénylpropanoate de méthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[[(1R)-1-[[(2S)-2-(formylamino)-3-methyl-1-oxobutyl]amino]-2-(2-naphthalenyl)ethyl]hydroxyphosphinyl]oxy]-, methyl ester, (αS)- [ACD/Index Name]
Methyl (2S)-2-({[(1R)-1-[(N-formyl-L-valyl)amino]-2-(2-naphthyl)ethyl](hydroxy)phosphoryl}oxy)-3-phenylpropanoate [ACD/IUPAC Name]
Methyl-(2S)-2-({[(1R)-1-[(N-formyl-L-valyl)amino]-2-(2-naphthyl)ethyl](hydroxy)phosphoryl}oxy)-3-phenylpropanoat [German] [ACD/IUPAC Name]
METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE
PP4

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 143.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.35
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 427.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement