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ChemSpider 2D Image | L-threo-Hexo-2,3-diulosonate | C6H7O7


  • Molecular FormulaC6H7O7
  • Average mass191.116 Da
  • Monoisotopic mass191.019730 Da
  • ChemSpider ID20015966
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-threo-2,3-Hexodiulosonic acid, ion(1-) [ACD/Index Name]
L-threo-Hexo-2,3-diulosonate [ACD/IUPAC Name]
L-thréo-Hexo-2,3-diulosonate [French] [ACD/IUPAC Name]
(4R,5S)-4,5,6-trihydroxy-2,3-dioxohexanoate; L-threo-hexo-2,3-diulosonate

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

3907464 [DBID]
  • Miscellaneous
    • Chemical Class:

      A dioxo monocarboxylic acid anion that is the conjugate base of 2,3-diketogulonic acid, and the major species at pH 7.3. ChEBI CHEBI:57441

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

Boiling Point: 580.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 318.8±29.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.65
ACD/LogD (pH 5.5): -6.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Surface Tension:
Molar Volume:

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