ChemSpider 2D Image | 4-{[6-O-(alpha-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}butyl 9-oxo-9H-fluorene-4-carboxylate | C30H36O14

4-{[6-O-(α-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}butyl 9-oxo-9H-fluorene-4-carboxylate

  • Molecular FormulaC30H36O14
  • Average mass620.598 Da
  • Monoisotopic mass620.210510 Da
  • ChemSpider ID24713048

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-{[6-O-(α-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}butyl 9-oxo-9H-fluorene-4-carboxylate [ACD/IUPAC Name]
4-{[6-O-(α-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}butyl-9-oxo-9H-fluoren-4-carboxylat [German] [ACD/IUPAC Name]
9H-Fluorene-4-carboxylic acid, 9-oxo-, 4-[(6-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]butyl ester [ACD/Index Name]
9-Oxo-9H-fluorène-4-carboxylate de 4-{[6-O-(α-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}butyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL506377/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 904.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.8±3.0 kJ/mol
Flash Point: 293.8±27.8 °C
Index of Refraction: 1.673
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.99
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.99
Polar Surface Area: 222 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 89.4±5.0 dyne/cm
Molar Volume: 395.3±5.0 cm3

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