ChemSpider 2D Image | 3-{[2-Hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]amino}propanoate | C9H15NO8P

3-{[2-Hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]amino}propanoate

  • Molecular FormulaC9H15NO8P
  • Average mass296.193 Da
  • Monoisotopic mass296.055176 Da
  • ChemSpider ID24785354

  • Charge - Charge

More details:

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

3-{[2-Hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]amino}propanoat [German] [ACD/IUPAC Name]
3-{[2-Hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]amino}propanoate [ACD/IUPAC Name]
3-{[2-Hydroxy-3,3-diméthyl-4-(phosphonatooxy)butanoyl]amino}propanoate [French] [ACD/IUPAC Name]
β-Alanine, N-[2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-, ion(3-) [ACD/Index Name]
4'-phosphopantothenate*4'-P-Pantothenate*(R)-4'-phosphopantothenate
D-4'-phosphopantothenate

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -6.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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