ChemSpider 2D Image | 7-[(2-O-β-D-Glucopyranosyl-β-D-galactopyranosyl)oxy]-1,4,5-trimethoxy-9H-xanthen-9-one | C28H34O16

7-[(2-O-β-D-Glucopyranosyl-β-D-galactopyranosyl)oxy]-1,4,5-trimethoxy-9H-xanthen-9-one

  • Molecular FormulaC28H34O16
  • Average mass626.560 Da
  • Monoisotopic mass626.184692 Da
  • ChemSpider ID103884863

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

258885-35-7 [RN]
2-O-β-D-Glucopyranosyl-β-D-galactopyranoside de 4,5,8-triméthoxy-9-oxo-9H-xanthén-2-yle [French] [ACD/IUPAC Name]
4,5,8-Trimethoxy-9-oxo-9H-xanthen-2-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
4,5,8-Trimethoxy-9-oxo-9H-xanthen-2-yl-2-O-β-D-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
7-[(2-O-β-D-Glucopyranosyl-β-D-galactopyranosyl)oxy]-1,4,5-trimethoxy-9H-xanthen-9-one
9H-Xanthen-9-one, 7-[(2-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-1,4,5-trimethoxy- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 934.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.5±3.0 kJ/mol
Flash Point: 306.1±27.8 °C
Index of Refraction: 1.676
Molar Refractivity: 144.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.56
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.80
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.80
Polar Surface Area: 233 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 92.0±5.0 dyne/cm
Molar Volume: 382.9±5.0 cm3

Click to predict properties on the Chemicalize site


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