ChemSpider 2D Image | Delphinidin-3-O-(6-p-coumaroyl)glucoside | C30H27O14

Delphinidin-3-O-(6-p-coumaroyl)glucoside

  • Molecular FormulaC30H27O14
  • Average mass611.526 Da
  • Monoisotopic mass611.139526 Da
  • ChemSpider ID26559505

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-chromeniumyl 6-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-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-(3,4,5-trihydroxyphényl)-3-chroméniumyle [French] [ACD/IUPAC Name]
Delphinidin 3-(6-p-coumaroyl)glucoside
Delphinidin-3-O-(6-p-coumaroyl)glucoside [Wiki]
Delphinidin-3-O-p-coumaroyl glucoside
β-D-Glucopyranoside, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
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}-2-(3,4,5-trihydroxyphenyl)-1λ4-chromen-1-ylium
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  • Miscellaneous

    • Chemical Class:

      An anthocyanin cation that is delphinidin substituted at position 3 by a 6-O-(cis-4 coumaryl)-beta-D-glucosyl residue ChEBI CHEBI:75675, CHEBI:75677
      An anthocyanin cation that is delphinidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-beta-D-glucosyl residue ChEBI CHEBI:75675, CHEBI:75677

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

Click to predict properties on the Chemicalize site


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