ChemSpider 2D Image | pelargonidin 3-O-rutinoside 5-O-beta-D-glucoside betaine | C33H40O19

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

  • Molecular FormulaC33H40O19
  • Average mass740.659 Da
  • Monoisotopic mass740.216370 Da
  • ChemSpider ID26331784
  • 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}-5-(β-D-glucopyranosyloxy)-2-(4-hydroxyphenyl)-7-chromeniumolate [ACD/IUPAC Name]
3-{[6-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5-(β-D-glucopyranosyloxy)-2-(4-hydroxyphenyl)-7-chromeniumolat [German] [ACD/IUPAC Name]
3-{[6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5-(β-D-glucopyranosyloxy)-2-(4-hydroxyphényl)-7-chroméniumolate [French] [ACD/IUPAC Name]
pelargonidin 3-O-rutinoside 5-O-β-D-glucoside βine
β-D-Glucopyranoside, 5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-, inner salt [ACD/Index Name]
3-{[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5-(β-D-glucopyranosyloxy)-2-(4-hydroxyphenyl)chromenium-7-olate
3-{[6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyl]oxy}-5-(β-D-glucopyranosyloxy)-2-(4-hydroxyphenyl)chromenium-7-olate
Pelargonidin 3-O-rutinoside 5-O-β-D-glucoside

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

Density:
Boiling Point:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 19
#H bond donors: 12
#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: 314 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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