ChemSpider 2D Image | N-{(2R)-4-(Methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-alpha-glutamyl-L-aspartamide | C21H30N5O11P

N-{(2R)-4-(Methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-α-glutamyl-L-aspartamide

  • Molecular FormulaC21H30N5O11P
  • Average mass559.464 Da
  • Monoisotopic mass559.167969 Da
  • ChemSpider ID26329406

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Aspartamide, N-[(2R)-4-(methylamino)-1,4-dioxo-2-[[4-(phosphonooxy)phenyl]methyl]butyl]-L-α-glutamyl- [ACD/Index Name]
N-{(2R)-4-(Methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-α-glutamyl-L-aspartamid [German] [ACD/IUPAC Name]
N-{(2R)-4-(Methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-α-glutamyl-L-aspartamide [ACD/IUPAC Name]
N-{(2R)-4-(Méthylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-α-glutamyl-L-aspartamide [French] [ACD/IUPAC Name]
N-{(2S)-4-(Methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-α-glutamyl-L-aspartamide [ACD/IUPAC Name]
YEN

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 127.5±0.3 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -4.22
ACD/LogD (pH 5.5): -8.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 287 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 378.6±3.0 cm3

Click to predict properties on the Chemicalize site


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