ChemSpider 2D Image | 5-hydroxy-2-methylchromone-7-O-rutinoside | C22H28O13

5-hydroxy-2-methylchromone-7-O-rutinoside

  • Molecular FormulaC22H28O13
  • Average mass500.450 Da
  • Monoisotopic mass500.152985 Da
  • ChemSpider ID8589072
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

1007089-85-1 [RN]
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-methyl- [ACD/Index Name]
5-Hydroxy-2-methyl-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-methyl-4-oxo-4H-chromen-7-yl-6-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
5-hydroxy-2-methylchromone-7-O-rutinoside
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 5-hydroxy-2-méthyl-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-methyl-4H-1-benzopyran-4-one
2-methylchromone glycoside 2
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66371
  • Miscellaneous
    • Chemical Class:

      A disaccharide derivative that consists of 5-hydroxy-2-methylchromone substituted by a rutinosyl group at position 7 via a glycosidic linkage. Isolated from <ital>Crossosoma bigelovii</ital>, it exhib its antineoplastic activity. ChEBI CHEBI:66371
      A disaccharide derivative that consists of 5-hydroxy-2-methylchromone substituted by a rutinosyl group at position 7 via a glycosidic linkage. Isolated from Crossosoma bigelovii, it exhib; its antineo plastic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66371

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 809.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 278.5±27.8 °C
Index of Refraction: 1.678
Molar Refractivity: 113.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.91
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 94.7±5.0 dyne/cm
Molar Volume: 301.5±5.0 cm3

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