ChemSpider 2D Image | Vitisin A | C26H25O14

Vitisin A

  • Molecular FormulaC26H25O14
  • Average mass561.468 Da
  • Monoisotopic mass561.123901 Da
  • ChemSpider ID8500967
  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

184362-09-2 [RN]
2H-Pyrano[4,3,2-de]-1-benzopyran-3-carboxaldehyde, 4-(β-D-glucopyranosyloxy)-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-, conjugate acid [ACD/Index Name]
3-Formyl-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-2H-pyrano[4,3,2-de]chromen-6-ium-4-yl β-D-glucopyranoside [ACD/IUPAC Name]
3-Formyl-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-2H-pyrano[4,3,2-de]chromen-6-ium-4-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Malvidin 3-O-glucoside pyruvic acid
Vitisin A [Wiki]
β-D-Glucopyranoside de 3-formyl-8-hydroxy-5-(4-hydroxy-3,5-diméthoxyphényl)-2-oxo-2H-pyrano[4,3,2-de]chromén-6-ium-4-yle [French] [ACD/IUPAC Name]
6-formyl-11-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-7-oxo-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(13),3,5,9,11-pentaen-2-ium
Vitisin A (pyranoanthocyanin)

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

Density:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 13
#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: 194 Å2
Polarizability:
Surface Tension:
Molar Volume:

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