ChemSpider 2D Image | malvidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside) | C32H31O14

malvidin 3-O-(6-O-(Z)-4-coumaroyl-β-D-glucoside)

  • Molecular FormulaC32H31O14
  • Average mass639.580 Da
  • Monoisotopic mass639.170837 Da
  • ChemSpider ID30779237

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

malvidin 3-O-(6-O-(Z)-4-coumaroyl-β-D-glucoside)
5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-chromeniumyl 6-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-chromeniumyl-6-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2Z)-3-(4-Hydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 5,7-dihydroxy-2-(4-hydroxy-3,5-diméthoxyphényl)-3-chroméniumyle [French] [ACD/IUPAC Name]
Malvidin 3-(6''-p-coumarylglucoside)
malvidin-3-O-(6-O-cis-p-coumaryl-β-D-glucoside)
β-D-Glucopyranoside, 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]--β-D-glucopyranoside
Malvidin 3-O-(coumaroylglucoside)
  • Miscellaneous

    • Chemical Class:

      An anthocyanin cation that is malvidin substituted at position 3 by a 6-O-(cis-4 coumaryl)-beta-D-glucosyl residue. ChEBI CHEBI:75691, CHEBI:75693
      An anthocyanin cation that is malvidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-beta-D-glucosyl residue ChEBI CHEBI:75691, CHEBI:75693

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: 14
#H bond donors: 7
#Freely Rotating Bonds: 10
#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: 218 Å2
Polarizability:
Surface Tension:
Molar Volume:

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