Found 1 result

Search term: 4-O-beta-D-glucopyranosyl-D-gluconate (Found by approved synonym)

ChemSpider 2D Image | 4-O-beta-D-Glucopyranosyl-D-gluconate | C12H21O12


  • Molecular FormulaC12H21O12
  • Average mass357.289 Da
  • Monoisotopic mass357.103851 Da
  • ChemSpider ID30786085
  • Charge - Charge

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4-O-β-D-Glucopyranosyl-D-gluconat [German] [ACD/IUPAC Name]
4-O-β-D-Glucopyranosyl-D-gluconate [ACD/IUPAC Name]
4-O-β-D-Glucopyranosyl-D-gluconate [French] [ACD/IUPAC Name]
D-Gluconic acid, 4-O-β-D-glucopyranosyl-, ion(1-) [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      A carbohydrate acid anion that is the conjugate base of cellobionic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:76825

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

Boiling Point: 864.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.8±6.0 kJ/mol
Flash Point: 319.1±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -4.06
ACD/LogD (pH 5.5): -6.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 220 Å2
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site