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ChemSpider 2D Image | 5-dehydro-D-gluconate | C6H9O7


  • Molecular FormulaC6H9O7
  • Average mass193.132 Da
  • Monoisotopic mass193.035370 Da
  • ChemSpider ID21436213
  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-xylo-5-Hexulosonic acid, ion(1-) [ACD/Index Name]
D-xylo-Hex-5-ulosonate [ACD/IUPAC Name]
D-xylo-Hex-5-ulosonate [French] [ACD/IUPAC Name]
5-dehydro-D-gluconate anion

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

CHEBI:58143 [DBID]
  • Miscellaneous
    • Chemical Class:

      A carbohydrate acid anion that is the conjugate base of 5-dehydro-D-gluconic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:58143

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

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:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -4.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Surface Tension:
Molar Volume:

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