ChemSpider 2D Image | Pelargonidin 3-O-caffeoylglucoside-5-O-malonylglucoside | C39H39O21

Pelargonidin 3-O-caffeoylglucoside-5-O-malonylglucoside

  • Molecular FormulaC39H39O21
  • Average mass843.714 Da
  • Monoisotopic mass843.197815 Da
  • ChemSpider ID4445358

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

168753-27-3 [RN]
3-({6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-7-hydroxy-2-(4-hydroxyphenyl)-5-chromeniumyl 6-O-(carboxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
3-({6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-7-hydroxy-2-(4-hydroxyphenyl)-5-chromeniumyl-6-O-(carboxyacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Carboxyacétyl)-β-D-glucopyranoside de 3-({6-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-7-hydroxy-2-(4-hydroxyphényl)-5-chroméniumyle [French] [ACD/IUPAC Name]
Pelargonidin 3-O-caffeoylglucoside-5-O-malonylglucoside
β-D-Glucopyranoside, 3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-5-yl, 6-(2-carboxyacetate) [ACD/Index Name]
3-({6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}oxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenium-5-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside
4645651 [Beilstein]
4'''-demalonylsalvianin
monodemalonylsalvianin
More...

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

C12641 [DBID]

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


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