ChemSpider 2D Image | (2S,3R,4S,5R)-3,4,5-Trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylate (non-preferred name) | C6H7O7

(2S,3R,4S,5R)-3,4,5-Trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylate (non-preferred name)

  • Molecular FormulaC6H7O7
  • Average mass191.116 Da
  • Monoisotopic mass191.019730 Da
  • ChemSpider ID34448764

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3R,4S,5R)-3,4,5-Trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylat (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3R,4S,5R)-3,4,5-Trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylate (non-preferred name) [ACD/IUPAC Name]
(2S,3R,4S,5R)-3,4,5-Trihydroxy-6-oxotétrahydro-2H-pyrane-2-carboxylate (non-preferred name) [French] [ACD/IUPAC Name]
(2S,3R,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylate
1,5-galactarolactone(1-)
D-galactaro-1,5-lactone
D-galactaro-1,5-lactone(1-)
galactaro-1,5-lactone(1-)
galactarolactone(1-)
  • Miscellaneous

    • Chemical Class:

      A carbohydrate acid anion that is the conjugate base of D-galactaro-1,5-lactone, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:83383

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

Density:
Boiling Point: 539.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.0±6.0 kJ/mol
Flash Point: 230.9±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.64
ACD/LogD (pH 5.5): -5.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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