ChemSpider 2D Image | N~3~-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-thioxoethyl)-beta-alaninamide | C11H21N2O7PS

N3-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-thioxoethyl)-β-alaninamide

  • Molecular FormulaC11H21N2O7PS
  • Average mass356.332 Da
  • Monoisotopic mass356.080719 Da
  • ChemSpider ID61714162

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Butanamide, 2-hydroxy-3,3-dimethyl-N-[3-oxo-3-[(2-thioxoethyl)amino]propyl]-4-(phosphonooxy)-, (2R)- [ACD/Index Name]
N3-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-thioxoethyl)-β-alaninamid [German] [ACD/IUPAC Name]
N3-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-thioxoethyl)-β-alaninamide [ACD/IUPAC Name]
N3-[(2R)-2-Hydroxy-3,3-diméthyl-4-(phosphonooxy)butanoyl]-N-(2-thioxoéthyl)-β-alaninamide [French] [ACD/IUPAC Name]
4'-Phosphopantetheine
PNS

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 80.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -2.47
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 187 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 250.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement