ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3-{[2-O-(beta-D-glucopyranuronosyl)-beta-D-glucopyranosyl]oxy}-5,7-chromeniumdiolate | C27H26O17

2-(3,4-Dihydroxyphenyl)-3-{[2-O-(β-D-glucopyranuronosyl)-β-D-glucopyranosyl]oxy}-5,7-chromeniumdiolate

  • Molecular FormulaC27H26O17
  • Average mass622.486 Da
  • Monoisotopic mass622.118103 Da
  • ChemSpider ID31150399

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-3-{[2-O-(β-D-glucopyranuronosyl)-β-D-glucopyranosyl]oxy}-5,7-chromeniumdiolat [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3-{[2-O-(β-D-glucopyranuronosyl)-β-D-glucopyranosyl]oxy}-5,7-chromeniumdiolate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-3-{[2-O-(β-D-glucopyranuronosyl)-β-D-glucopyranosyl]oxy}-5,7-chroméniumdiolate [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 2-O-β-D-glucopyranuronosyl-, inner salt, ion(2-) [ACD/Index Name]
2-(3,4-dihydroxyphenyl)-3-{[2-O-β-(β-D-glucopyranuronosyl)-β-D-glucopyranosyl]oxy}chromenium-5,7-diolate
cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside
cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside(2-)
  • Miscellaneous

    • Chemical Class:

      An organic anion obtained by deprotonation of the 5 and 7 positions of cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77824

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: 298 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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