ChemSpider 2D Image | 2-(3,4-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C28H33O16

2-(3,4-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC28H33O16
  • Average mass625.552 Da
  • Monoisotopic mass625.176331 Da
  • ChemSpider ID30777233

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-chromeniumyl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 2-(3,4-dihydroxy-5-méthoxyphényl)-5,7-dihydroxy-3-chroméniumyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1-benzopyrylium-3-yl 6-O-(6-deoxy-α-L-mannopyranosyl)- [ACD/Index Name]
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ4-chromen-1-ylium
Petunidin 3-O-rutinoside
Petunidin 3-rutinoside

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 7
#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: 262 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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