ChemSpider 2D Image | 5,8-Dihydroxy-7-methoxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside | C22H22O13

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

  • Molecular FormulaC22H22O13
  • Average mass494.402 Da
  • Monoisotopic mass494.106049 Da
  • ChemSpider ID22913579

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,8-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)- [ACD/Index Name]
5,8-Dihydroxy-7-methoxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
5,8-Dihydroxy-7-methoxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de 5,8-dihydroxy-7-méthoxy-4-oxo-2-(3,4,5-trihydroxyphényl)-4H-chromén-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 906.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.0±3.0 kJ/mol
Flash Point: 314.8±27.8 °C
Index of Refraction: 1.778
Molar Refractivity: 112.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 43.37
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.37
Polar Surface Area: 216 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 126.1±5.0 dyne/cm
Molar Volume: 268.3±5.0 cm3

Click to predict properties on the Chemicalize site


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