ChemSpider 2D Image | cyanidin 3-O-beta-D-galactoside betaine | C21H20O11

cyanidin 3-O-β-D-galactoside βine

  • Molecular FormulaC21H20O11
  • Average mass448.377 Da
  • Monoisotopic mass448.100555 Da
  • ChemSpider ID28533629

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-3-(β-D-galactopyranosyloxy)-7-hydroxy-5-chromeniumolat [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3-(β-D-galactopyranosyloxy)-7-hydroxy-5-chromeniumolate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-3-(β-D-galactopyranosyloxy)-7-hydroxy-5-chroméniumolate [French] [ACD/IUPAC Name]
cyanidin 3-O-β-D-galactoside βine
β-D-Galactopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl, inner salt [ACD/Index Name]
2-(3,4-dihydroxyphenyl)-3-(β-D-galactopyranosyloxy)-7-hydroxychromenium-5-olate
cyanidin 3-<i>;O</i>-&β;-D-galactose
cyanidin 3-O-β-D-galactoside
cyanidin-3-<i>;O</i>-&β
cyanidin-3-<i>;O</i>-&β;-D-galactoside
More...
  • Miscellaneous

    • Chemical Class:

      An oxonium betaine that is the conjugate base of cyanidin 3-<element>O</element>-<stereo>beta</stereo>-<stereo>D</stereo>-galactoside, arising from regioselective deprotonation of the 5-hydroxy group. Major structure at pH 7.3 ChEBI CHEBI:71515
      An oxonium betaine that is the conjugate base of cyanidin 3-O-beta-D-galactoside, arising from regioselective deprotonation of the 5-hydroxy group. Major structure at pH 7.3 ChEBI CHEBI:71515
      An oxonium betaine that is the conjugate base of cyanidin 3-O-beta-D-galactoside, arising from regioselective deprotonation of the 5-hydroxy group.; Major structure at pH 7.3 ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71515

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
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Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 4
#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: 196 Å2
Polarizability:
Surface Tension:
Molar Volume:

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