ChemSpider 2D Image | Pelargonin | C27H31O15

Pelargonin

  • Molecular FormulaC27H31O15
  • Average mass595.526 Da
  • Monoisotopic mass595.165771 Da
  • ChemSpider ID390369

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-(β-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-5-chromeniumyl β-D-glucopyranoside [ACD/IUPAC Name]
3-(β-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-5-chromeniumyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
3,5-Bis(glucosyloxy)-4',7-dihydroxyflavylium
Pelargonidin 3,5-di-β-D-glucoside
pelargonidin-3,5-di-O-glucoside
Pelargonin [Wiki]
β-D-Glucopyranoside de 3-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphényl)-5-chroméniumyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-5-yl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-(hydroxym
3-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-5-yl β-D-glucopyranoside
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C08725 [DBID]
  • Miscellaneous

    • Chemical Class:

      An anthocyanidin glycoside that is pelargonidin in which the two phenolic hydrogens at positions 3 and 5 have been replaced by beta-D-glucosyl residues. ChEBI CHEBI:133365

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: 15
#H bond donors: 10
#Freely Rotating Bonds: 7
#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: 252 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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