ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 5-O-(carboxyacetyl)-alpha-D-arabinofuranoside | C23H21O13

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 5-O-(carboxyacetyl)-α-D-arabinofuranoside

  • Molecular FormulaC23H21O13
  • Average mass505.405 Da
  • Monoisotopic mass505.097656 Da
  • ChemSpider ID30776745

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 5-O-(carboxyacetyl)-α-D-arabinofuranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl-5-O-(carboxyacetyl)-α-D-arabinofuranosid [German] [ACD/IUPAC Name]
5-O-(2-Carboxyacétyl)-α-D-arabinofuranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-3-chroméniumyle [French] [ACD/IUPAC Name]
α-D-Arabinofuranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl, 5-(2-carboxyacetate) [ACD/Index Name]
3-{[(2R,3S,4S,5R)-5-{[(2-carboxyacetyl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ4-chromen-1-ylium
Cyanidin 3-O-(6''-malonyl-arabinoside)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 7
#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: 217 Å2
Polarizability:
Surface Tension:
Molar Volume:

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