ChemSpider 2D Image | 4-[3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-chromeniumyl]-2,6-dihydroxyphenolate | C21H20O12

4-[3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-chromeniumyl]-2,6-dihydroxyphenolate

  • Molecular FormulaC21H20O12
  • Average mass464.376 Da
  • Monoisotopic mass464.095490 Da
  • ChemSpider ID58829730

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-[3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-chromeniumyl]-2,6-dihydroxyphenolat [German] [ACD/IUPAC Name]
4-[3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-chromeniumyl]-2,6-dihydroxyphenolate [ACD/IUPAC Name]
4-[3-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-chroméniumyl]-2,6-dihydroxyphénolate [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-3-yl, inner salt [ACD/Index Name]
3-(β-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-5-olate
delfinidin-3-O-glucoside
Delphinidin 3-O-β-D-glucoside
delphinidin-3-<i>O</i>-&amp;β;-D-glucoside
  • Miscellaneous

    • Chemical Class:

      An oxonium betaine obtained by deprotonation of the 5 position of delfinidin 3-O-beta-D-glucoside. It is the major microspecies at pH 7.3. ChEBI CHEBI:144776

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: 12
#H bond donors: 9
#Freely Rotating Bonds: 4
#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:

Click to predict properties on the Chemicalize site


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