ChemSpider 2D Image | Anemone purple anthocyanin 1 | C64H67O41

Anemone purple anthocyanin 1

  • Molecular FormulaC64H67O41
  • Average mass1492.192 Da
  • Monoisotopic mass1491.315186 Da
  • ChemSpider ID10358300

  • Charge - Charge

    defined stereocentres - 20 of 22 defined stereocentres

More details:

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

5-{3-[(6-O-[3-(1,2-Dicarboxy-2-hydroxyethoxy)-3-oxopropanoyl]-2-O-{2-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-β-D-galactopyranosyl)oxy]-7-({6-O-[(2E)-3-(3,4-dihydroxyphen yl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-5-hydroxy-2-chromeniumyl}-2-hydroxyphenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
5-{3-[(6-O-[3-(1,2-Dicarboxy-2-hydroxyethoxy)-3-oxopropanoyl]-2-O-{2-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}-β-D-galactopyranosyl)oxy]-7-({6-O-[(2E)-3-(3,4-dihydroxyphen yl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-5-hydroxy-2-chromeniumyl}-2-hydroxyphenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 5-{3-[(6-O-[3-(1,2-dicarboxy-2-hydroxyéthoxy)-3-oxopropanoyl]-2-O-{2-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-glucopyranosyl}-β-D-galactopyranosyl) oxy]-7-({6-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-5-hydroxy-2-chroméniumyl}-2-hydroxyphényle [French] [ACD/IUPAC Name]
Anemone purple anthocyanin 1
β-D-Glucopyranosiduronic acid, 5-[3-[[6-O-[3-(1,2-dicarboxy-2-hydroxyethoxy)-1,3-dioxopropyl]-2-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-galactopyrano syl]oxy]-7-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-5-hydroxy-1-benzopyrylium-2-yl]-2-hydroxyphenyl [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: 41
#H bond donors: 21
#Freely Rotating Bonds: 30
#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: 668 Å2
Polarizability:
Surface Tension:
Molar Volume:

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