ChemSpider 2D Image | 4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside | C28H32O15

4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside

  • Molecular FormulaC28H32O15
  • Average mass608.545 Da
  • Monoisotopic mass608.174133 Da
  • ChemSpider ID26392739

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

18467-06-6 [RN]
4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside
4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl-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 5-hydroxy-2-(4-hydroxyphényl)-3-méthoxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
7-rutinosyl-3-methoxy-kaempferol
Isokaempferide 7-rutinoside
  • Miscellaneous

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

Density: 1.7±0.1 g/cm3
Boiling Point: 933.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.3±3.0 kJ/mol
Flash Point: 307.5±27.8 °C
Index of Refraction: 1.710
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.39
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 234 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 100.2±5.0 dyne/cm
Molar Volume: 362.2±5.0 cm3

Click to predict properties on the Chemicalize site


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