ChemSpider 2D Image | Benzyl N-[(2S)-3-{[2-(acetylsulfanyl)ethoxy][(R)-amino(phenyl)methyl]phosphoryl}-2-(4-biphenylylmethyl)propanoyl]-L-alaninate | C37H41N2O6PS

Benzyl N-[(2S)-3-{[2-(acetylsulfanyl)ethoxy][(R)-amino(phenyl)methyl]phosphoryl}-2-(4-biphenylylmethyl)propanoyl]-L-alaninate

  • Molecular FormulaC37H41N2O6PS
  • Average mass672.770 Da
  • Monoisotopic mass672.242310 Da
  • ChemSpider ID9247929
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

Benzyl N-[(2S)-3-{[2-(acetylsulfanyl)ethoxy][(R)-amino(phenyl)methyl]phosphoryl}-2-(4-biphenylylmethyl)propanoyl]-L-alaninate [ACD/IUPAC Name]
Benzyl-N-[(2S)-3-{[2-(acetylsulfanyl)ethoxy][(R)-amino(phenyl)methyl]phosphoryl}-2-(4-biphenylylmethyl)propanoyl]-L-alaninat [German] [ACD/IUPAC Name]
L-Alanine, N-[(2S)-3-[[2-(acetylthio)ethoxy][(R)-aminophenylmethyl]phosphinyl]-2-([1,1'-biphenyl]-4-ylmethyl)-1-oxopropyl]-, phenylmethyl ester [ACD/Index Name]
N-[(2S)-3-{[2-(Acétylsulfanyl)éthoxy][(R)-amino(phényl)méthyl]phosphoryl}-2-(4-biphénylylméthyl)propanoyl]-L-alaninate de benzyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.595
Molar Refractivity: 185.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 643.82
ACD/KOC (pH 5.5): 1844.50
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 5863.35
ACD/KOC (pH 7.4): 16798.07
Polar Surface Area: 160 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 546.7±3.0 cm3

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