ChemSpider 2D Image | Lethedoside C | C24H26O12

Lethedoside C

  • Molecular FormulaC24H26O12
  • Average mass506.456 Da
  • Monoisotopic mass506.142426 Da
  • ChemSpider ID8566913

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3-Hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-yl β-D-glucopyranoside [ACD/IUPAC Name]
2-(3-Hydroxy-4,5-dimethoxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-(β-D-glucopyranosyloxy)-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxy- [ACD/Index Name]
Lethedoside C
β-D-Glucopyranoside de 2-(3-hydroxy-4,5-diméthoxyphényl)-7-méthoxy-4-oxo-4H-chromén-5-yle [French] [ACD/IUPAC Name]
5-O-β-D-glucopyranosyl-7,3',4'-tri-O-methyltricetin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL455082/
Tricetin 7,3',4'-trimethyl eter 5-glucoside

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

Density: 1.5±0.1 g/cm3
Boiling Point: 808.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 276.4±27.8 °C
Index of Refraction: 1.643
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.34
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.20
Polar Surface Area: 174 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 336.8±3.0 cm3

Click to predict properties on the Chemicalize site


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