ChemSpider 2D Image | 3-(beta-D-Glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-5-chromeniumyl beta-D-glucopyranoside | C27H31O17

3-(β-D-Glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-5-chromeniumyl β-D-glucopyranoside

  • Molecular FormulaC27H31O17
  • Average mass627.524 Da
  • Monoisotopic mass627.155579 Da
  • ChemSpider ID8276439

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-(β-D-Glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-5-chromeniumyl β-D-glucopyranoside [ACD/IUPAC Name]
3-(β-D-Glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-5-chromeniumyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 3-(β-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphényl)-5-chroméniumyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3-(β-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium-5-yl [ACD/Index Name]
3-(β-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-5-yl β-D-glucopyranoside
7-hydroxy-3,5-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-(3,4,5-trihydroxyphenyl)-1λ4-chromen-1-ylium
Aurobanin A
C.I. Natural blue
DELPHIN [Wiki]
delphinidin 3,5-diglucoside
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3839910 [DBID]
  • Miscellaneous

    • Chemical Class:

      An anthocyanin cation consisting of delphinidin with two beta-D-glucosyl residues attached to the 3- and 5-hydroxy groups. ChEBI CHEBI:55455

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: 17
#H bond donors: 12
#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: 293 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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