ChemSpider 2D Image | cyanidin 3-O-rutinoside betaine | C27H30O15

cyanidin 3-O-rutinoside βine

  • Molecular FormulaC27H30O15
  • Average mass594.518 Da
  • Monoisotopic mass594.158447 Da
  • ChemSpider ID26331233

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-{[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-chromeniumolate [ACD/IUPAC Name]
3-{[6-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-chromeniumolat [German] [ACD/IUPAC Name]
3-{[6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphényl)-7-hydroxy-5-chroméniumolate [French] [ACD/IUPAC Name]
cyanidin 3-O-rutinoside βine
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-, inner salt [ACD/Index Name]
3-{[6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-olate
Antirrhinin
cyanidin 3-O-rutinoside
Cyanidin 3-rhamnoglucoside
Cyanidin 3-rutinoside
More...
  • Miscellaneous

    • Chemical Class:

      An oxonium betaine that is the conjugate base of cyanidin 3-<element>O</element>-rutinoside, arising from selective deprotonation of the 5-hydroxy group on the chromene ring; major species at pH 7.3. ChEBI CHEBI:58546
      An oxonium betaine that is the conjugate base of cyanidin 3-O-rutinoside, arising from selective deprotonation of the 5-hydroxy group on the chromene ring; major species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:58546, CHEBI:58546

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: 6
#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: 255 Å2
Polarizability:
Surface Tension:
Molar Volume:

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