ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl 6-O-{(2E)-3-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]-2-propenoyl}-beta-D-glucopyranoside | C36H37O18

5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl 6-O-{(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-2-propenoyl}-β-D-glucopyranoside

  • Molecular FormulaC36H37O18
  • Average mass757.668 Da
  • Monoisotopic mass757.197449 Da
  • ChemSpider ID115268914

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl 6-O-{(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-2-propenoyl}-β-D-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl-6-O-{(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-2-propenoyl}-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-{(2E)-3-[3-(β-D-Glucopyranosyloxy)-4-hydroxyphényl]-2-propenoyl}-β-D-glucopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-3-chroméniumyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl 6-O-[(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-1-oxo-2-propen-1-yl]- [ACD/Index Name]
Pelargonidin 3-[6-(3-glucosylcaffeyl) 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: 18
#H bond donors: 11
#Freely Rotating Bonds: 11
#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: 299 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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