ChemSpider 2D Image | (2S)-[(2S,3R,4R)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl](hydroxy)acetate (non-preferred name) | C6H7O7

(2S)-[(2S,3R,4R)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl](hydroxy)acetate (non-preferred name)

  • Molecular FormulaC6H7O7
  • Average mass191.116 Da
  • Monoisotopic mass191.019730 Da
  • ChemSpider ID34999648

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-[(2S,3R,4R)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl](hydroxy)acetat (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-[(2S,3R,4R)-3,4-Dihydroxy-5-oxotetrahydro-2-furanyl](hydroxy)acetate (non-preferred name) [ACD/IUPAC Name]
(2S)-[(2S,3R,4R)-3,4-Dihydroxy-5-oxotétrahydro-2-furanyl](hydroxy)acétate (non-preferred name) [French] [ACD/IUPAC Name]
(2S)-[(2S,3R,4R)-3,4-dihydroxy-5-oxotetrahydrofuran-2-yl](hydroxy)acetate
D-Glucaro-1,4-lactone
D-glucaro-1,4-lactone(1-)
  • Miscellaneous

    • Chemical Class:

      A carbohydrate acid anion resulting from the removal of a proton from the carboxylic acid group of D-glucaro-1,4-lactone; major species at pH 7.3. ChEBI CHEBI:85336

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

Density:
Boiling Point: 537.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.7±6.0 kJ/mol
Flash Point: 230.1±16.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -4.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.67
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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