ChemSpider 2D Image | 2-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-8-hydroxy-6-methoxy-9-oxo-9H-xanthen-1-yl beta-D-glucopyranoside | C26H30O15

2-[(6-Deoxy-α-L-mannopyranosyl)oxy]-8-hydroxy-6-methoxy-9-oxo-9H-xanthen-1-yl β-D-glucopyranoside

  • Molecular FormulaC26H30O15
  • Average mass582.507 Da
  • Monoisotopic mass582.158447 Da
  • ChemSpider ID30819959

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-[(6-Deoxy-α-L-mannopyranosyl)oxy]-8-hydroxy-6-methoxy-9-oxo-9H-xanthen-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
2-[(6-Desoxy-α-L-mannopyranosyl)oxy]-8-hydroxy-6-methoxy-9-oxo-9H-xanthen-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
9H-Xanthen-9-one, 2-[(6-deoxy-α-L-mannopyranosyl)oxy]-1-(β-D-glucopyranosyloxy)-8-hydroxy-6-methoxy- [ACD/Index Name]
β-D-Glucopyranoside de 2-[(6-désoxy-α-L-mannopyranosyl)oxy]-8-hydroxy-6-méthoxy-9-oxo-9H-xanthén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 944.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.9±3.0 kJ/mol
Flash Point: 315.5±27.8 °C
Index of Refraction: 1.687
Molar Refractivity: 134.0±0.3 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -1.43
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.17
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 234 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 89.7±3.0 dyne/cm
Molar Volume: 351.6±3.0 cm3

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