ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranoside | C27H29O17

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranoside

  • Molecular FormulaC27H29O17
  • Average mass625.508 Da
  • Monoisotopic mass625.139954 Da
  • ChemSpider ID26332246

  • 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)-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]
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 2-O-β-D-glucopyranuronosyl- [ACD/Index Name]
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranoside
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl β-D-glucopyranuronosyl-(1->2)-β-D-glucopyranoside
Cyanidin 3-(2''-glucuronosylglucoside)
cyanidin 3-O-(2-O-β-D-glucuronosyl)-β-D-glucoside
  • Miscellaneous

    • Chemical Class:

      An anthocyanin cation comprising cyanidin(1+) having a beta-D-glucopyranuronosyl-(1->2)-beta-D-glucopyranosyl residue attached at the 3-position. ChEBI CHEBI:61505
      An anthocyanin cation comprising cyanidin(1+) having a beta-D-glucopyranuronosyl-(1right2)-beta-D-glucopyranosyl resi; due attached at the 3-position. ChEBI CHEBI:61505

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: 290 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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