ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3-{[beta-D-glucopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-galactopyranosyl]oxy}-7-hydroxy-5-chromeniumolate | C32H38O20

2-(3,4-Dihydroxyphenyl)-3-{[β-D-glucopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-β-D-galactopyranosyl]oxy}-7-hydroxy-5-chromeniumolate

  • Molecular FormulaC32H38O20
  • Average mass742.632 Da
  • Monoisotopic mass742.195618 Da
  • ChemSpider ID31150388

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-3-{[β-D-glucopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-β-D-galactopyranosyl]oxy}-7-hydroxy-5-chromeniumolat [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3-{[β-D-glucopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-β-D-galactopyranosyl]oxy}-7-hydroxy-5-chromeniumolate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-3-{[β-D-glucopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-β-D-galactopyranosyl]oxy}-7-hydroxy-5-chroméniumolate [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl O-β-D-glucopyranosyl-(1->6)-O-[β-D-xylopyranosyl-(1->2)]-, inner salt [ACD/Index Name]
2-(3,4-dihydroxyphenyl)-3-{[β-D-glucopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-β-D-galactopyranosyl]oxy}-7-hydroxychromenium-5-olate
cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) zwitterion
cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside) βine
  • Miscellaneous

    • Chemical Class:

      An oxonium betaine obtained by deprotonation of the 5-hydroxy group of cyanidin 3-<element>O</element>-(6-<element>O</element>-glucosyl-2-<element>O</element>-xylosylgalactoside). It is the major micr ospecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77771
      An oxonium betaine obtained by deprotonation of the 5-hydroxy group of cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside). It is the major micr; ospecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77771
      An oxonium betaine obtained by deprotonation of the 5-hydroxy group of cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside). It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77771

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: 20
#H bond donors: 13
#Freely Rotating Bonds: 9
#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: 334 Å2
Polarizability:
Surface Tension:
Molar Volume:

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