ChemSpider 2D Image | 3-dehydro-D-gluconic acid | C6H10O7

3-dehydro-D-gluconic acid

  • Molecular FormulaC6H10O7
  • Average mass194.139 Da
  • Monoisotopic mass194.042648 Da
  • ChemSpider ID34999625
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

3-dehydro-D-gluconic acid
Acide D-ribo-hex-3-ulosonique [French] [ACD/IUPAC Name]
D-ribo-3-Hexulosonic acid [ACD/Index Name]
D-ribo-Hex-3-ulosonic acid [ACD/IUPAC Name]
3-keto-D-gluconic acid
3-ketogluconic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 650.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±6.0 kJ/mol
Flash Point: 361.5±28.0 °C
Index of Refraction: 1.593
Molar Refractivity: 37.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -4.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 108.8±3.0 dyne/cm
Molar Volume: 110.5±3.0 cm3

Click to predict properties on the Chemicalize site






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