ChemSpider 2D Image | N~2~-[(S)-({[(Benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide | C21H36N3O5P

N2-[(S)-({[(Benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide

  • Molecular FormulaC21H36N3O5P
  • Average mass441.501 Da
  • Monoisotopic mass441.239258 Da
  • ChemSpider ID35034825
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Carbamic acid, N-[[(S)-[[(1S)-1-[[(3,3-dimethylbutyl)amino]carbonyl]-3-methylbutyl]amino]hydroxyphosphinyl]methyl]-, phenylmethyl ester [ACD/Index Name]
N2-[(S)-({[(Benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamid [German] [ACD/IUPAC Name]
N2-[(S)-({[(Benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide [ACD/IUPAC Name]
N2-[(S)-({[(Benzyloxy)carbonyl]amino}méthyl)(hydroxy)phosphoryl]-N-(3,3-diméthylbutyl)-L-leucinamide [French] [ACD/IUPAC Name]
P-((((Benzyloxy)carbonyl)amino)methyl)-N-((S)-1-((3,3-Dimethylbutyl)amino)-4-Methyl-1-Oxopentan-2-Yl)phosphonamidic Acid
2G6

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: 1.517
Molar Refractivity: 116.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.48
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 386.3±3.0 cm3

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