Found 198 results

Search term: MF = 'C_{33}H_{40}O_{20}'
ChemSpider 2D Image | cyanidin 3-O-rutinoside 5-O-beta-D-glucoside betaine | C33H40O20

cyanidin 3-O-rutinoside 5-O-β-D-glucoside βine

  • Molecular FormulaC33H40O20
  • Average mass756.659 Da
  • Monoisotopic mass756.211304 Da
  • ChemSpider ID30785524

  • defined stereocentres - 15 of 15 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)-5-(β-D-glucopyranosyloxy)-7-chromeniumolate [ACD/IUPAC Name]
3-{[6-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphenyl)-5-(β-D-glucopyranosyloxy)-7-chromeniumolat [German] [ACD/IUPAC Name]
3-{[6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2-(3,4-dihydroxyphényl)-5-(β-D-glucopyranosyloxy)-7-chroméniumolate [French] [ACD/IUPAC Name]
cyanidin 3-O-rutinoside 5-O-β-D-glucoside βine
β-D-Glucopyranoside, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-1-benzopyrylium-5-yl, inner salt [ACD/Index Name]
3-{[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5-[(2,4-dideoxy-2,4-dimethyl-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)chromenium-7-olate
a cyanidin-3-<i&gt;O</i>-rutinoside-5-<i>O</i>-&β;-D-glucoside
cyanidin 3-O-rutinoside 5-O-β-D-glucoside
cyanidin 3-O-rutinoside 5-O-β-D-glucoside (OK)
Cyanidin 3-rutinoside-5-glucoside
More...
  • Miscellaneous

    • Chemical Class:

      Conjugate base of cyanidin 3-<element>O</element>-rutinoside 5-<element>O</element>-<stereo>beta</stereo>-<stereo>D</stereo>-glucoside arising from selective deprotonation of the 7-hydroxy group; majo r species at pH 7.3. ChEBI CHEBI:57830
      Conjugate base of cyanidin 3-O-rutinoside 5-O-beta-D-glucoside arising from selective deprotonation of the 7-hydroxy group; majo; r species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:57830
      Conjugate base of cyanidin 3-O-rutinoside 5-O-beta-D-glucoside arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. ChEBI CHEBI:57830

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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