ChemSpider 2D Image | (1S,3S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid | C7H10O6

(1S,3S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid

  • Molecular FormulaC7H10O6
  • Average mass190.151 Da
  • Monoisotopic mass190.047745 Da
  • ChemSpider ID61670744

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,3S)-1,3,4-Trihydroxy-5-oxocyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1S,3S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,3S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-oxo-, (1S,3S)- [ACD/Index Name]
2089577-58-0 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 489.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.1±6.0 kJ/mol
Flash Point: 264.0±25.2 °C
Index of Refraction: 1.659
Molar Refractivity: 38.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.11
ACD/LogD (pH 5.5): -4.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 15.3±0.5 10-24cm3
Surface Tension: 127.4±3.0 dyne/cm
Molar Volume: 104.6±3.0 cm3

Click to predict properties on the Chemicalize site


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