ChemSpider 2D Image | N-[(2R)-4-Hydroxy-3,3-dimethyl-2-(phosphonooxy)butanoyl]-beta-alanine | C9H18NO8P

N-[(2R)-4-Hydroxy-3,3-dimethyl-2-(phosphonooxy)butanoyl]-β-alanine

  • Molecular FormulaC9H18NO8P
  • Average mass299.215 Da
  • Monoisotopic mass299.076996 Da
  • ChemSpider ID67172812

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-[(2R)-4-Hydroxy-3,3-dimethyl-2-(phosphonooxy)butanoyl]-β-alanin [German] [ACD/IUPAC Name]
N-[(2R)-4-Hydroxy-3,3-dimethyl-2-(phosphonooxy)butanoyl]-β-alanine [ACD/IUPAC Name]
N-[(2R)-4-Hydroxy-3,3-diméthyl-2-(phosphonooxy)butanoyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(2R)-4-hydroxy-3,3-dimethyl-1-oxo-2-(phosphonooxy)butyl]- [ACD/Index Name]
phosphopantothenic acid

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: 1.530
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -2.28
ACD/LogD (pH 5.5): -6.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 68.9±3.0 dyne/cm
Molar Volume: 201.1±3.0 cm3

Click to predict properties on the Chemicalize site


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