ChemSpider 2D Image | (4R)-4-Hydroxy-5-(phosphonooxy)-2,3-pentanedione | C5H9O7P

(4R)-4-Hydroxy-5-(phosphonooxy)-2,3-pentanedione

  • Molecular FormulaC5H9O7P
  • Average mass212.094 Da
  • Monoisotopic mass212.008591 Da
  • ChemSpider ID103883482
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-Hydroxy-3,4-dioxopentyl dihydrogen phosphate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3,4-dioxopentyldihydrogenphosphat [German] [ACD/IUPAC Name]
(4R)-4-Hydroxy-5-(phosphonooxy)-2,3-pentanedione
2,3-Pentanedione, 4-hydroxy-5-(phosphonooxy)-, (4R)- [ACD/Index Name]
67964-90-3 [RN]
Dihydrogénophosphate de (2R)-2-hydroxy-3,4-dioxopentyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 417.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.5±6.0 kJ/mol
Flash Point: 206.1±31.5 °C
Index of Refraction: 1.509
Molar Refractivity: 38.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.96
ACD/LogD (pH 5.5): -6.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 76.4±3.0 dyne/cm
Molar Volume: 128.7±3.0 cm3

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