ChemSpider 2D Image | 1,2-Dihydroxy-3-oxobutyl dihydrogen phosphate | C4H9O7P

1,2-Dihydroxy-3-oxobutyl dihydrogen phosphate

  • Molecular FormulaC4H9O7P
  • Average mass200.084 Da
  • Monoisotopic mass200.008591 Da
  • ChemSpider ID10739299

More details:






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

1,2-Dihydroxy-3-oxobutyl dihydrogen phosphate [ACD/IUPAC Name]
1,2-Dihydroxy-3-oxobutyldihydrogenphosphat [German] [ACD/IUPAC Name]
2-Butanone, 3,4-dihydroxy-4-(phosphonooxy)- [ACD/Index Name]
Dihydrogénophosphate de 1,2-dihydroxy-3-oxobutyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 522.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 270.0±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 35.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -5.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 14.0±0.5 10-24cm3
Surface Tension: 92.0±3.0 dyne/cm
Molar Volume: 113.0±3.0 cm3

Click to predict properties on the Chemicalize site






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