ChemSpider 2D Image | 8-{1-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]ethyl}-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-chromeniumyl D-glucopyranoside | C40H41O18

8-{1-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]ethyl}-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-chromeniumyl D-glucopyranoside

  • Molecular FormulaC40H41O18
  • Average mass809.742 Da
  • Monoisotopic mass809.228760 Da
  • ChemSpider ID7987342

  • Charge - Charge

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

8-{1-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]ethyl}-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-chromeniumyl D-glucopyranoside [ACD/IUPAC Name]
8-{1-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]ethyl}-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-chromeniumyl-D-glucopyranosid [German] [ACD/IUPAC Name]
D-Glucopyranoside de 8-{1-[(2R,3R)-2-(3,4-dihydroxyphényl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromén-8-yl]éthyl}-5,7-dihydroxy-2-(4-hydroxy-3,5-diméthoxyphényl)-3-chroméniumyle [French] [ACD/IUPAC Name]
D-Glucopyranoside, 8-[1-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]ethyl]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium-3-yl [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 9
#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: 302 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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