ChemSpider 2D Image | scutellarin(1-) | C21H17O12

scutellarin(1-)

  • Molecular FormulaC21H17O12
  • Average mass461.353 Da
  • Monoisotopic mass461.072540 Da
  • ChemSpider ID26332184

  • 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-(4-hydroxyphenyl)-, ion(1-) [ACD/Index Name]
5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranosiduronate [ACD/IUPAC Name]
5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
scutellarin(1-)
5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl &β;-D-glucopyranosiduronate
scutellarein 7-O-&β;-D-glucuronate
scutellarein 7-O-β-D-glucuronate
Scutellarin [Wiki]
β-D-Glucopyranosiduronate de 5,6-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]

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

CHEBI:61284 [DBID]
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of scutellarin. ChEBI CHEBI:61284

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

Density:
Boiling Point: 891.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.8±3.0 kJ/mol
Flash Point: 314.9±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: -0.46
ACD/LogD (pH 5.5): -3.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement