ChemSpider 2D Image | 5-{[6-O-(Carboxyacetyl)-beta-D-threo-hexopyranosyl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-alpha-L-glycero-hexopyranoside | C39H39O21

5-{[6-O-(Carboxyacetyl)-β-D-threo-hexopyranosyl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-α-L-glycero-hexopyranoside

  • Molecular FormulaC39H39O21
  • Average mass843.714 Da
  • Monoisotopic mass843.197815 Da
  • ChemSpider ID24842097

  • Charge - Charge

    defined stereocentres - 5 of 10 defined stereocentres

More details:

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

5-{[6-O-(Carboxyacetyl)-β-D-threo-hexopyranosyl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-α-L-glycero-hexopyranoside [ACD/IUPAC Name]
5-{[6-O-(Carboxyacetyl)-β-D-threo-hexopyranosyl]oxy}-7-hydroxy-2-(4-hydroxyphenyl)-3-chromeniumyl-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-α-L-glycero-hexopyranosid [German] [ACD/IUPAC Name]
6-O-[(2E)-3-(3,4-Dihydroxyphényl)-2-propenoyl]-α-L-glycéro-hexopyranoside de 5-{[6-O-(2-carboxyacétyl)-β-D-thréo-hexopyranosyl]oxy}-7-hydroxy-2-(4-hydroxyphényl)-3-chroméniumyle [French] [ACD/IUPAC Name]
α-L-glycero-Hexopyranoside, 5-[[6-O-(2-carboxyacetyl)-β-D-threo-hexopyranosyl]oxy]-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]

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: 11
#Freely Rotating Bonds: 15
#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: 342 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement