ChemSpider 2D Image | 3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-2-O-methyl-L-mannopyranoside | C22H22O8

3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-2-O-methyl-L-mannopyranoside

  • Molecular FormulaC22H22O8
  • Average mass414.405 Da
  • Monoisotopic mass414.131470 Da
  • ChemSpider ID78441518

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-2-O-methyl-L-mannopyranoside [ACD/IUPAC Name]
3-(4-Hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-desoxy-2-O-methyl-L-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[(6-deoxy-2-O-methyl-L-mannopyranosyl)oxy]-3-(4-hydroxyphenyl)- [ACD/Index Name]
6-Désoxy-2-O-méthyl-L-mannopyranoside de 3-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
Daidzein G3

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

Density: 1.5±0.1 g/cm3
Boiling Point: 656.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 231.3±25.0 °C
Index of Refraction: 1.661
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.03
ACD/KOC (pH 5.5): 406.84
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.86
ACD/KOC (pH 7.4): 404.59
Polar Surface Area: 115 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 284.0±5.0 cm3

Click to predict properties on the Chemicalize site


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