ChemSpider 2D Image | [(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-oxotetrahydro-2H-pyran-2-yl]methanesulfonate (non-preferred name) | C6H9O8S

[(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-oxotetrahydro-2H-pyran-2-yl]methanesulfonate (non-preferred name)

  • Molecular FormulaC6H9O8S
  • Average mass241.196 Da
  • Monoisotopic mass241.002365 Da
  • ChemSpider ID58145689

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-oxotetrahydro-2H-pyran-2-yl]methanesulfonate (non-preferred name) [ACD/IUPAC Name]
[(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-oxotétrahydro-2H-pyran-2-yl]méthanesulfonate (non-preferred name) [French] [ACD/IUPAC Name]
[(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-oxotetrahydro-2H-pyran-2-yl]methansulfonat (non-preferred name) [German] [ACD/IUPAC Name]
[(2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxooxan-2-yl]methanesulfonate
6-deoxy-6-sulfo-D-glucono-1,5-lactone
6-deoxy-6-sulfoglucono-1,5-lactone(1-)
  • Miscellaneous

    • Chemical Class:

      An organosulfonate oxoanion that is the conjugate base of 6-deoxy-6-sulfoglucono-1,5-lactone, obtained by deprotonation of the sulfo group; major species at pH 7.3. ChEBI CHEBI:88091

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: 2
#Rule of 5 Violations: 0
ACD/LogP: -3.73
ACD/LogD (pH 5.5): -7.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability:
Surface Tension:
Molar Volume:

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