ChemSpider 2D Image | 3,6-Dideoxy-6-sulfonato-D-erythro-hex-2-ulosonate | C6H8O8S

3,6-Dideoxy-6-sulfonato-D-erythro-hex-2-ulosonate

  • Molecular FormulaC6H8O8S
  • Average mass240.189 Da
  • Monoisotopic mass239.995087 Da
  • ChemSpider ID58163968

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3,6-Dideoxy-6-sulfonato-D-erythro-hex-2-ulosonate [ACD/IUPAC Name]
3,6-Didésoxy-6-sulfonato-D-érythro-hex-2-ulosonate [French] [ACD/IUPAC Name]
D-erythro-2-Hexulosonic acid, 3,6-dideoxy-6-sulfo-, ion(2-) [ACD/Index Name]
2-dehydro-3,6-dideoxy-6-sulfo-D-gluconate
2-dehydro-3,6-dideoxy-6-sulfo-D-gluconate(2-)
2-keto-3,6-dideoxy-6-sulfogluconate
  • Miscellaneous

    • Chemical Class:

      A carbohydrate acid derivative anion obtained by deprotonation of the carboxy and sulfo groups of 2-dehydro-3,6-dideoxy-6-sulfo-D-gluconnic acid; major species at pH 7.3. ChEBI CHEBI:88094

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -3.64
ACD/LogD (pH 5.5): -8.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability:
Surface Tension:
Molar Volume:

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