ChemSpider 2D Image | (2S)-2-Amino-3-oxo-4-(phosphonatooxy)butanoate | C4H5NO7P

(2S)-2-Amino-3-oxo-4-(phosphonatooxy)butanoate

  • Molecular FormulaC4H5NO7P
  • Average mass210.060 Da
  • Monoisotopic mass209.982010 Da
  • ChemSpider ID27471397

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-3-oxo-4-(phosphonatooxy)butanoat [German] [ACD/IUPAC Name]
(2S)-2-Amino-3-oxo-4-(phosphonatooxy)butanoate [ACD/IUPAC Name]
(2S)-2-Amino-3-oxo-4-(phosphonatooxy)butanoate [French] [ACD/IUPAC Name]
(2S)-2-amino-3-oxo-4-(phosphonatooxy)butanoate(3-)
L-Homoserine, 3-oxo-O-phosphono-, ion(3-) [ACD/Index Name]
(2S)-2-amino-3-oxo-4-(phosphonatooxy)butanoate (OLD)
3-oxo-O-phosphonato-L-homoserinate

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

CHEBI:64178 [DBID]
  • Miscellaneous

    • Chemical Class:

      A triply-charged organophosphate oxoanion arising from deprotonation of the carboxylic acid and phosphate OH groups of (2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid; major species ; at pH 7.3. ChEBI CHEBI:64178
      A triply-charged organophosphate oxoanion arising from deprotonation of the carboxylic acid and phosphate OH groups of (2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid; major species at pH 7.3. ChEBI CHEBI:64178

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

Density:
Boiling Point: 498.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.9±6.0 kJ/mol
Flash Point: 255.0±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.84
ACD/LogD (pH 5.5): -5.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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