ChemSpider 2D Image | 4,4-Dihydroxy-3-oxobutyl dihydrogen phosphate | C4H9O7P

4,4-Dihydroxy-3-oxobutyl dihydrogen phosphate

  • Molecular FormulaC4H9O7P
  • Average mass200.084 Da
  • Monoisotopic mass200.008591 Da
  • ChemSpider ID10739289

More details:

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

2-Butanone, 1,1-dihydroxy-4-(phosphonooxy)- [ACD/Index Name]
4,4-Dihydroxy-3-oxobutyl dihydrogen phosphate [ACD/IUPAC Name]
4,4-Dihydroxy-3-oxobutyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de 4,4-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: 453.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±6.0 kJ/mol
Flash Point: 227.9±31.5 °C
Index of Refraction: 1.540
Molar Refractivity: 35.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.68
ACD/LogD (pH 5.5): -6.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.94
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: 96.0±3.0 dyne/cm
Molar Volume: 112.6±3.0 cm3

Click to predict properties on the Chemicalize site


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