ChemSpider 2D Image | (2S)-2,3,3-Trihydroxy-4-oxopentyl dihydrogen phosphate | C5H11O8P

(2S)-2,3,3-Trihydroxy-4-oxopentyl dihydrogen phosphate

  • Molecular FormulaC5H11O8P
  • Average mass230.110 Da
  • Monoisotopic mass230.019150 Da
  • ChemSpider ID35035815

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2,3,3-Trihydroxy-4-oxopentyl dihydrogen phosphate [ACD/IUPAC Name]
(2S)-2,3,3-Trihydroxy-4-oxopentyldihydrogenphosphat [German] [ACD/IUPAC Name]
2-Pentanone, 3,3,4-trihydroxy-5-(phosphonooxy)-, (4S)- [ACD/Index Name]
Dihydrogénophosphate de (2S)-2,3,3-trihydroxy-4-oxopentyle [French] [ACD/IUPAC Name]
D5X

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

Density: 1.8±0.1 g/cm3
Boiling Point: 607.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.6±6.0 kJ/mol
Flash Point: 321.3±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 41.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -5.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 103.6±3.0 dyne/cm
Molar Volume: 126.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement