ChemSpider 2D Image | Methyl N-[(2S)-2-({hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate | C36H60N5O10P

Methyl N-[(2S)-2-({hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate

  • Molecular FormulaC36H60N5O10P
  • Average mass753.863 Da
  • Monoisotopic mass753.407776 Da
  • ChemSpider ID26327635
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

L-Alanine, N-[(2S)-2-[[hydroxy[(1R)-3-methyl-1-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-1-oxobutyl]amino]butyl]phosphinyl]oxy]-1-oxo-3-phenylpropyl]-L-alanyl- , methyl ester [ACD/Index Name]
Methyl N-[(2s)-2-({(S)-Hydroxy[(1r)-3-Methyl-1-{[n-(3-Methylbutanoyl)-L-Valyl-L-Valyl]amino}butyl]phosphoryl}oxy)-3-Phenylpropanoyl]-L-Alanyl-L-Alaninate
Methyl N-[(2S)-2-({hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate [ACD/IUPAC Name]
Methyl-N-[(2S)-2-({hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninat [German] [ACD/IUPAC Name]
N-[(2S)-2-({Hydroxy[(1R)-3-méthyl-1-{[N-(3-méthylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phénylpropanoyl]-L-alanyl-L-alaninate de méthyle [French] [ACD/IUPAC Name]
HH0

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: 1.513
Molar Refractivity: 195.2±0.3 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 3.99
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 77.4±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 649.4±3.0 cm3

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