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ChemSpider 2D Image | Cyanidin-3-O-(6''-O-(E-p-coum)-2''-O-(beta-xylopyranosyl)-beta-glucopyranoside)-5-O-beta-glucopyranoside | C41H45O22

Cyanidin-3-O-(6''-O-(E-p-coum)-2''-O-(β-xylopyranosyl)-β-glucopyranoside)-5-O-β-glucopyranoside

  • Molecular FormulaC41H45O22
  • Average mass889.782 Da
  • Monoisotopic mass889.239685 Da
  • ChemSpider ID5034731
  • Charge - Charge

    defined stereocentres - 14 of 14 defined stereocentres


More details:






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

2-(3,4-Dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-3-chromeniumyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-2-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-3-chromeniumyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-2-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-({6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-2-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl}oxy)-5-chromeniumyl β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-({6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-2-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl}oxy)-5-chromeniumyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2E)-3-(4-Hydroxyphényl)-2-propenoyl]-2-O-β-D-xylopyranosyl-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-3-chroméniumyle [French] [ACD/IUPAC Name]
Cyanidin-3-O-(6''-O-(E-p-coum)-2''-O-(β-xylopyranosyl)-β-glucopyranoside)-5-O-β-glucopyranoside
β-D-Glucopyranoside de 2-(3,4-dihydroxyphényl)-7-hydroxy-3-({6-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-2-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl}oxy)-5-chroméniumyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-β-D-xylopyranosyl- [ACD/Index Name]
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-β-D-xylopyranosyl-β-D-glucopyranosyl]oxy]-1-benzopyrylium-5-yl [ACD/Index Name]
763896-30-6 [RN]
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 13
#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: 358 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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