ChemSpider 2D Image | 2-(3,4-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C31H29O14

2-(3,4-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC31H29O14
  • Average mass625.553 Da
  • Monoisotopic mass625.155212 Da
  • ChemSpider ID30779240

  • 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-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-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 2-(3,4-dihydroxy-5-méthoxyphényl)-5,7-dihydroxy-3-chroméniumyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1λ4-chromen-1-ylium
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
petunidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside)
petunidin 3-O-(6-O-(Z)-4-coumaroyl-β-D-glucoside)
Petunidin 3-O-(coumaroylglucoside)
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  • Miscellaneous

    • Chemical Class:

      An anthocyanin cation that is petunidin substituted at position 3 by a 6-O-(cis-4 coumaryl)-beta-D-glucosyl residue. ChEBI CHEBI:75708, CHEBI:75709
      An anthocyanin cation that is petunidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-beta-D-glucosyl residue ChEBI CHEBI:75708, CHEBI:75709

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: 8
#Freely Rotating Bonds: 9
#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: 229 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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