ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-7-chromeniumyl beta-D-glucopyranoside | C27H31O16

2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5-hydroxy-7-chromeniumyl β-D-glucopyranoside

  • Molecular FormulaC27H31O16
  • Average mass611.525 Da
  • Monoisotopic mass611.160645 Da
  • ChemSpider ID4590640

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5-hydroxy-7-chromeniumyl β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5-hydroxy-7-chromeniumyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 2-(3,4-dihydroxyphényl)-3-(β-D-glucopyranosyloxy)-5-hydroxy-7-chroméniumyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5-hydroxy-1-benzopyrylium-7-yl [ACD/Index Name]
2-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-5-hydroxychromenium-7-yl β-D-glucopyranoside
cyanidin 3,7-di-O-β-D-glucoside
Seranin
  • Miscellaneous

    • Chemical Class:

      An anthocyanin cation that is cyanidin(1+) carrying two beta-D-glucosyl residues at positions 3 and 7. ChEBI CHEBI:71584

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:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 7
#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: 273 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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