ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-(3-carboxypropanoyl)-beta-D-glucopyranoside | C25H25O14

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-(3-carboxypropanoyl)-β-D-glucopyranoside

  • Molecular FormulaC25H25O14
  • Average mass549.457 Da
  • Monoisotopic mass549.123901 Da
  • ChemSpider ID30776741
  • 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-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-(3-carboxypropanoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl-6-O-(3-carboxypropanoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(3-Carboxypropanoyl)-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, 6-(3-carboxypropanoate) [ACD/Index Name]
3-{[(2S,3R,4S,5S,6R)-6-{[(3-carboxypropanoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λâ´-chromen-1-ylium
3-{[(2S,3R,4S,5S,6R)-6-{[(3-carboxypropanoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ4-chromen-1-ylium
Cyanidin 3-(6-O-succinoyl-β-D-glucopyranoside)
Cyanidin 3-(6''-succinyl-glucoside)
Cyanidin 3-O-(6''-succinyl-glucoside)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

Click to predict properties on the Chemicalize site






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