ChemSpider 2D Image | N-{(1S)-3-Amino-1-[(3aS,5S,6R,6aS)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-oxopropyl}-Nalpha-(benzylcarbamoyl)-Nalpha-[2-(4-methoxyphenyl)ethyl]-L-phenylalaninamide | C43H50N4O8

N-{(1S)-3-Amino-1-[(3aS,5S,6R,6aS)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-oxopropyl}-Nα-(benzylcarbamoyl)-Nα-[2-(4-methoxyphenyl)ethyl]-L-phenylalaninamide

  • Molecular FormulaC43H50N4O8
  • Average mass750.879 Da
  • Monoisotopic mass750.362854 Da
  • ChemSpider ID31147666
  • defined stereocentres - 6 of 6 defined stereocentres


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

N-{(1S)-3-Amino-1-[(3aS,5S,6R,6aS)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-oxopropyl}-Nα-(benzylcarbamoyl)-Nα-[2-(4-methoxyphenyl)ethyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{(1S)-3-Amino-1-[(3aS,5S,6R,6aS)-6-(benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-oxopropyl}-Nα-(benzylcarbamoyl)-Nα-[2-(4-methoxyphenyl)ethyl]-L-phenylalaninamide [ACD/IUPAC Name]
N-{(1S)-3-Amino-1-[(3aS,5S,6R,6aS)-6-(benzyloxy)-2,2-diméthyltétrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-oxopropyl}-Nα-(benzylcarbamoyl)-Nα-[2-(4-méthoxyphényl)éthyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 984.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.7±3.0 kJ/mol
Flash Point: 549.1±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 208.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30153.50
ACD/KOC (pH 5.5): 55962.14
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30153.37
ACD/KOC (pH 7.4): 55961.89
Polar Surface Area: 151 Å2
Polarizability: 82.7±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 585.6±5.0 cm3

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