ChemSpider 2D Image | 3-({2-Hydroxy-4-[(hydroxyphosphinato)oxy]-3,3-dimethylbutanoyl}amino)propanoate | C9H16NO8P


  • Molecular FormulaC9H16NO8P
  • Average mass297.200 Da
  • Monoisotopic mass297.062439 Da
  • ChemSpider ID95571489
  • Charge - Charge

More details:

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

3-({2-Hydroxy-4-[(hydroxyphosphinato)oxy]-3,3-dimethylbutanoyl}amino)propanoat [German] [ACD/IUPAC Name]
3-({2-Hydroxy-4-[(hydroxyphosphinato)oxy]-3,3-dimethylbutanoyl}amino)propanoate [ACD/IUPAC Name]
3-({2-Hydroxy-4-[(hydroxyphosphinato)oxy]-3,3-diméthylbutanoyl}amino)propanoate [French] [ACD/IUPAC Name]
β-Alanine, N-[2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-, ion(2-) [ACD/Index Name]

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

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: 169 Å2
Surface Tension:
Molar Volume:

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