ChemSpider 2D Image | baicalin(1-) | C21H17O11

baicalin(1-)

  • Molecular FormulaC21H17O11
  • Average mass445.354 Da
  • Monoisotopic mass445.077637 Da
  • ChemSpider ID26332183

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-(β-D-glucopyranuronosyloxy)-5,6-dihydroxy-2-phenyl-, ion(1-) [ACD/Index Name]
5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl β-D-glucopyranosiduronate [ACD/IUPAC Name]
5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
baicalin(1-)
5,6,7-trihydroxyflavone 7-O-β-D-glucuronate
5,6,7-trihydroxyflavone-7-O-&β;-D-glucuronate
5,6,7-trihydroxyflavone-7-O-β-D-glucuronate
5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl &β;-D-glucopyranosiduronic acid
7-D-glucuronic acid-5,6-dihydroxyflavone
baicalein 7-O-glucuronide
More...

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

CHEBI:61283 [DBID]

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

Density:
Boiling Point: 836.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 297.2±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -2.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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