ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 3-O-(carboxyacetyl)-beta-D-glucopyranoside | C24H23O14

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

  • Molecular FormulaC24H23O14
  • Average mass535.430 Da
  • Monoisotopic mass535.108215 Da
  • ChemSpider ID30780065

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

171828-61-8 [RN]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 3-O-(carboxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl-3-O-(carboxyacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3-O-(2-Carboxyacétyl)-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, 3-(2-carboxyacetate) [ACD/Index Name]
3-{[(2S,3R,4S,5R,6R)-4-[(2-carboxyacetyl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ4-chromen-1-ylium
Cyanidin 3-(3''-malonylglucoside)

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: 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: 237 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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