ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside | C22H22O12

2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC22H22O12
  • Average mass478.403 Da
  • Monoisotopic mass478.111115 Da
  • ChemSpider ID22913580

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-4-oxo-4H-chromen-3-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy- [ACD/Index Name]
6-Désoxy-α-L-mannopyranoside de 2-(3,4-dihydroxyphényl)-5,8-dihydroxy-7-méthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
3',4',5,8-tetrahydroxy-7-methoxy-flavonol 3-O-??-l-rhamnopyranoside
Ranupenin 3-rhamnoside

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

Density: 1.8±0.1 g/cm3
Boiling Point: 851.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 297.3±27.8 °C
Index of Refraction: 1.752
Molar Refractivity: 110.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.11
ACD/KOC (pH 5.5): 58.28
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.29
Polar Surface Area: 196 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 112.3±5.0 dyne/cm
Molar Volume: 271.5±5.0 cm3

Click to predict properties on the Chemicalize site


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