ChemSpider 2D Image | cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside betaine | C27H28O17

cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside βine

  • Molecular FormulaC27H28O17
  • Average mass624.501 Da
  • Monoisotopic mass624.132629 Da
  • ChemSpider ID26332195

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl-2-O-β-D-glucopyranuronosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranuronosyl-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-3-chroméniumyle [French] [ACD/IUPAC Name]
cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside βine
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 2-O-β-D-glucopyranuronosyl-, inner salt [ACD/Index Name]
cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside
  • Miscellaneous

    • Chemical Class:

      An oxonium betaine that is the conjugate base of cyanidin 3-<element>O</element>-(2-<element>O</element>-<stereo>beta</stereo>-<stereo>D</stereo>-glucuronosyl)-<stereo>beta</stereo>-<stereo>D</stereo> -glucoside, arising from deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:61317
      An oxonium betaine that is the conjugate base of cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D; -glucoside, arising from deprotonation of the carboxy group; major species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61317
      An oxonium betaine that is the conjugate base of cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside, arising from deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:61317

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: 17
#H bond donors: 11
#Freely Rotating Bonds: 7
#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: 292 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement