ChemSpider 2D Image | N~2~-{(2R)-4-(Methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide | C21H31N6O10P

N2-{(2R)-4-(Methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide

  • Molecular FormulaC21H31N6O10P
  • Average mass558.479 Da
  • Monoisotopic mass558.183899 Da
  • ChemSpider ID25061197
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

L-Aspartamide, N2-[(2R)-4-(methylamino)-1,4-dioxo-2-[[4-(phosphonooxy)phenyl]methyl]butyl]-L-glutaminyl- [ACD/Index Name]
N2-{(2R)-4-(Methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamid [German] [ACD/IUPAC Name]
N2-{(2R)-4-(Methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide [ACD/IUPAC Name]
N2-{(2R)-4-(Méthylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide [French] [ACD/IUPAC Name]
FYQ

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 129.5±0.3 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -4.62
ACD/LogD (pH 5.5): -7.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 293 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 71.0±3.0 dyne/cm
Molar Volume: 384.8±3.0 cm3

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