ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-chromeniumdiolate | C21H19O11

2-(3,4-Dihydroxyphenyl)-3-(β-D-galactopyranosyloxy)-5,7-chromeniumdiolate

  • Molecular FormulaC21H19O11
  • Average mass447.370 Da
  • Monoisotopic mass447.093292 Da
  • ChemSpider ID31150439

  • 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)-3-(β-D-galactopyranosyloxy)-5,7-chromeniumdiolat [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3-(β-D-galactopyranosyloxy)-5,7-chromeniumdiolate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-3-(β-D-galactopyranosyloxy)-5,7-chroméniumdiolate [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl, inner salt, ion(1-) [ACD/Index Name]
2-(3,4-dihydroxyphenyl)-3-(β-D-galactopyranosyloxy)chromenium-5,7-diolate
cyanidin 3-O-β-D-galactoside
cyanidin 3-O-β-D-galactoside(1-)
  • Miscellaneous

    • Chemical Class:

      A phenolate anion obtained by deprotonation of the 5- and 7-hydroxy groups of cyanidin 3-O-beta-D-galactoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77935
      A phenolate anion obtained by deprotonation of the 5- and 7-hydroxy groups of cyanidin 3-O-beta-D-galactoside. It is the major microspecies at pH 7; .3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77935

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 199 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement