ChemSpider 2D Image | (2S,3R)-2-(Benzoyloxy)-3-hydroxysuccinic acid | C11H10O7

(2S,3R)-2-(Benzoyloxy)-3-hydroxysuccinic acid

  • Molecular FormulaC11H10O7
  • Average mass254.193 Da
  • Monoisotopic mass254.042648 Da
  • ChemSpider ID62838641

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-(Benzoyloxy)-3-hydroxybernsteinsäure [German] [ACD/IUPAC Name]
(2S,3R)-2-(Benzoyloxy)-3-hydroxysuccinic acid [ACD/IUPAC Name]
65621-34-3 [RN]
Acide (2S,3R)-2-(benzoyloxy)-3-hydroxysuccinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-(benzoyloxy)-3-hydroxy-, (2S,3R)- [ACD/Index Name]
rel-(2R,3S)-2-(Benzoyloxy)-3-hydroxybutanedioic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 496.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 196.6±22.2 °C
Index of Refraction: 1.604
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -3.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 76.8±3.0 dyne/cm
Molar Volume: 164.4±3.0 cm3

Click to predict properties on the Chemicalize site


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