ChemSpider 2D Image | (3S)-3,4-Dihydroxy-2-oxobutyl phosphate | C4H7O7P

(3S)-3,4-Dihydroxy-2-oxobutyl phosphate

  • Molecular FormulaC4H7O7P
  • Average mass198.069 Da
  • Monoisotopic mass197.994034 Da
  • ChemSpider ID26331000

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3,4-Dihydroxy-2-oxobutyl phosphate [ACD/IUPAC Name]
(3S)-3,4-Dihydroxy-2-oxobutylphosphat [German] [ACD/IUPAC Name]
2-Butanone, 3,4-dihydroxy-1-(phosphonooxy)-, ion(2-), (3S)- [ACD/Index Name]
Phosphate de (3S)-3,4-dihydroxy-2-oxobutyle [French] [ACD/IUPAC Name]
(3S)-3,4-dihydroxy-2-oxobutyl phosphate; L-erythrulose 1-phosphate
L-erythrulose 1-phosphate
L-erythrulose 1-phosphate dianion
L-erythrulose 1-phosphate(2-)
  • Miscellaneous

    • Chemical Class:

      Dianion of L-erythrulose 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. ChEBI CHEBI:58002

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

Density:
Boiling Point: 519.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.1±6.0 kJ/mol
Flash Point: 267.8±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.92
ACD/LogD (pH 5.5): -6.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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