ChemSpider 2D Image | 3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-7-methoxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-8-yl acetate | C24H24O14

3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-7-methoxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-8-yl acetate

  • Molecular FormulaC24H24O14
  • Average mass536.439 Da
  • Monoisotopic mass536.116577 Da
  • ChemSpider ID22913575

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-7-methoxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-8-yl acetate [ACD/IUPAC Name]
3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-7-methoxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-8-yl-acetat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 8-(acetyloxy)-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)- [ACD/Index Name]
Acétate de 3-[(6-désoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-7-méthoxy-4-oxo-2-(3,4,5-trihydroxyphényl)-4H-chromén-8-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: 877.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.7±3.0 kJ/mol
Flash Point: 299.2±27.8 °C
Index of Refraction: 1.728
Molar Refractivity: 121.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 37.02
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.09
Polar Surface Area: 222 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 108.6±5.0 dyne/cm
Molar Volume: 306.0±5.0 cm3

Click to predict properties on the Chemicalize site


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