ChemSpider 2D Image | luteolin 7-O-beta-D-glucosiduronate | C21H17O12

luteolin 7-O-β-D-glucosiduronate

  • Molecular FormulaC21H17O12
  • Average mass461.353 Da
  • Monoisotopic mass461.072540 Da
  • ChemSpider ID26331148
  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl β-D-glucopyranosiduronate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranuronosyloxy)-5-hydroxy-, ion(1-) [ACD/Index Name]
luteolin 7-O-β-D-glucosiduronate
luteolin 7-O-β-D-glucosiduronate anion
luteolin 7-O-β-D-glucosiduronate(1-)
β-D-Glucopyranosiduronate de 2-(3,4-dihydroxyphényl)-5-hydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]

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

CHEBI:58385 [DBID]
  • Miscellaneous
    • Chemical Class:

      A carbohydrate acid derivative anion that is the conjugate base of luteolin 7-O-beta-D-glucosiduronic acid, arising from deprotonation of the carbo; xy group; major species at pH 7.3. ChEBI CHEBI:58385

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

Boiling Point: 892.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 315.2±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -3.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site