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 beta-D-glucopyranoside | C28H32O18

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

  • Molecular FormulaC28H32O18
  • Average mass656.543 Da
  • Monoisotopic mass656.158875 Da
  • ChemSpider ID76790953

  • defined stereocentres - 10 of 10 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 β-D-glucopyranoside [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-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-8-(β-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)- [ACD/Index Name]
β-D-Glucopyranoside 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: 1.9±0.1 g/cm3
Boiling Point: 1073.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.9±3.0 kJ/mol
Flash Point: 349.9±27.8 °C
Index of Refraction: 1.768
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.91
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.50
ACD/LogD (pH 7.4): -2.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 295 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 130.8±5.0 dyne/cm
Molar Volume: 352.4±5.0 cm3

Click to predict properties on the Chemicalize site


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