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Search term: HOQNHEQPPFYHLF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 7-Hydroxy-2-(4-hydroxyphenyl)-3-({6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}oxy)-5-chromeniumyl 4,6-bis-O-(carboxyacetyl)-beta-D-glucopyranoside | C42H41O23

7-Hydroxy-2-(4-hydroxyphenyl)-3-({6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-5-chromeniumyl 4,6-bis-O-(carboxyacetyl)-β-D-glucopyranoside

  • Molecular FormulaC42H41O23
  • Average mass913.761 Da
  • Monoisotopic mass913.203308 Da
  • ChemSpider ID34983842

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4,6-Bis-O-(2-carboxyacétyl)-β-D-glucopyranoside de 7-hydroxy-2-(4-hydroxyphényl)-3-({6-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-5-chroméniumyle [French] [ACD/IUPAC Name]
7-Hydroxy-2-(4-hydroxyphenyl)-3-({6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-5-chromeniumyl 4,6-bis-O-(carboxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
7-Hydroxy-2-(4-hydroxyphenyl)-3-({6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-5-chromeniumyl-4,6-bis-O-(carboxyacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 7-hydroxy-2-(4-hydroxyphenyl)-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-1-benzopyrylium-5-yl, 4,6-bis(2-carboxyacetate) [ACD/Index Name]
3-O-(6-O-trans-p-coumaryl-β-D-glucopyranosyl)-5-O-(4,6-di-O-malonyl-β-D-glucopyranosyl)pelargonidin
73545-87-6 [RN]
739319-00-7 [RN]
7-hydroxy-2-(4-hydroxyphenyl)-3-({6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}oxy)-1-benzopyran-1-ium-5-yl 4,6-bis-O-(carboxyacetyl)-β-D-glucopyranoside
7-hydroxy-2-(4-hydroxyphenyl)-3-({6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranosyl}oxy)chromenium-5-yl 4,6-bis-O-(carboxyacetyl)-β-D-glucopyranoside
C08723
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  • Miscellaneous

    • Chemical Class:

      An anthocyanin cation that is pelargonidin in which the hydroxy group at position 3 is substituted by a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl group and the hydroxy group at position 5 is substituted by a 4,6-bis-O-(carboxyacetyl)-beta-D-glucopyranosyl group. ChEBI CHEBI:6972

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: 23
#H bond donors: 10
#Freely Rotating Bonds: 19
#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: 365 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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