ChemSpider 2D Image | 2,6,8-Trihydroxy-9-oxo-9H-xanthen-1-yl 2-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | C25H28O16

2,6,8-Trihydroxy-9-oxo-9H-xanthen-1-yl 2-O-α-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC25H28O16
  • Average mass584.480 Da
  • Monoisotopic mass584.137756 Da
  • ChemSpider ID34240191

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2,6,8-Trihydroxy-9-oxo-9H-xanthen-1-yl 2-O-α-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2,6,8-Trihydroxy-9-oxo-9H-xanthen-1-yl-2-O-α-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-α-D-Glucopyranosyl-β-D-glucopyranoside de 2,6,8-trihydroxy-9-oxo-9H-xanthén-1-yle [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 1-[(2-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2,6,8-trihydroxy- [ACD/Index 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: 1003.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.3±3.0 kJ/mol
Flash Point: 336.4±27.8 °C
Index of Refraction: 1.780
Molar Refractivity: 129.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -2.76
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 137.0±5.0 dyne/cm
Molar Volume: 308.6±5.0 cm3

Click to predict properties on the Chemicalize site


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