ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3-{[6-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}-7-hydroxy-5-chromeniumyl beta-D-glucopyranoside | C33H41O21

2-(3,4-Dihydroxyphenyl)-3-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-7-hydroxy-5-chromeniumyl β-D-glucopyranoside

  • Molecular FormulaC33H41O21
  • Average mass773.666 Da
  • Monoisotopic mass773.213501 Da
  • ChemSpider ID30777615

  • Charge - Charge

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-3-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-7-hydroxy-5-chromeniumyl β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-7-hydroxy-5-chromeniumyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 2-(3,4-dihydroxyphényl)-3-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-7-hydroxy-5-chroméniumyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-7-hydroxy-1-benzopyrylium-5-yl [ACD/Index Name]
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)ox
Cyanidin 3-diglucoside 5-glucoside
Cyanidin 3-diglucoside-5-glucoside
Cyanidin 3-O-diglucoside-5-O-glucoside

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: 21
#H bond donors: 14
#Freely Rotating Bonds: 10
#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: 352 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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