ChemSpider 2D Image | 5-Methoxy-1-oxo-7-phenyl-1H,3H-benzo[de]isochromen-6-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside | C28H26O12

5-Methoxy-1-oxo-7-phenyl-1H,3H-benzo[de]isochromen-6-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside

  • Molecular FormulaC28H26O12
  • Average mass554.499 Da
  • Monoisotopic mass554.142456 Da
  • ChemSpider ID90661080

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5-Methoxy-1-oxo-7-phenyl-1H,3H-benzo[de]isochromen-6-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5-Methoxy-1-oxo-7-phenyl-1H,3H-benzo[de]isochromen-6-yl-6-O-(carboxyacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Carboxyacétyl)-β-D-glucopyranoside de 5-méthoxy-1-oxo-7-phényl-1H,3H-benzo[de]isochromén-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 5-methoxy-1-oxo-7-phenyl-1H,3H-naphtho[1,8-cd]pyran-6-yl, 6-(2-carboxyacetate) [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 857.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.5±3.0 kJ/mol
Flash Point: 287.2±27.8 °C
Index of Refraction: 1.664
Molar Refractivity: 136.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.40
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 178 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 73.1±3.0 dyne/cm
Molar Volume: 366.7±3.0 cm3

Click to predict properties on the Chemicalize site


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