ChemSpider 2D Image | (3R,4S)-4-Hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid | C7H11O7P

(3R,4S)-4-Hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid

  • Molecular FormulaC7H11O7P
  • Average mass238.132 Da
  • Monoisotopic mass238.024246 Da
  • ChemSpider ID25032792

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-4-Hydroxy-3-(phosphonooxy)-1-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(3R,4S)-4-Hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 4-hydroxy-3-(phosphonooxy)-, (3R,4S)- [ACD/Index Name]
Acide (3R,4S)-4-hydroxy-3-(phosphonooxy)-1-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 552.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.8±6.0 kJ/mol
Flash Point: 288.0±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 46.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.31
ACD/LogD (pH 5.5): -5.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 85.3±5.0 dyne/cm
Molar Volume: 140.0±5.0 cm3

Click to predict properties on the Chemicalize site


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