ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-chromeniumyl 6-O-(carboxyacetyl)-beta-D-glucopyranoside | C25H25O14

5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-chromeniumyl 6-O-(carboxyacetyl)-β-D-glucopyranoside

  • Molecular FormulaC25H25O14
  • Average mass549.457 Da
  • Monoisotopic mass549.123901 Da
  • ChemSpider ID30776742

  • 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-(4-hydroxy-3-methoxyphenyl)-3-chromeniumyl 6-O-(carboxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-chromeniumyl-6-O-(carboxyacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Carboxyacétyl)-β-D-glucopyranoside de 5,7-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-3-chroméniumyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium-3-yl, 6-(2-carboxyacetate) [ACD/Index Name]
3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1λ4-chromen-1-ylium
Peonidin 3-(6''-malonylglucoside)
Peonidin 3-(6''-malonyl-glucoside)
Peonidin 3-O-(6''-malonyl-glucoside)

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: 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: 226 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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