ChemSpider 2D Image | (3,4-Dimethoxyphenyl)[(3R,4R,5S)-5-(3-hydroxy-5-methoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methanone | C21H24O7

(3,4-Dimethoxyphenyl)[(3R,4R,5S)-5-(3-hydroxy-5-methoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methanone

  • Molecular FormulaC21H24O7
  • Average mass388.411 Da
  • Monoisotopic mass388.152191 Da
  • ChemSpider ID23320770

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3,4-Dimethoxyphenyl)[(3R,4R,5S)-5-(3-hydroxy-5-methoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methanon [German] [ACD/IUPAC Name]
(3,4-Dimethoxyphenyl)[(3R,4R,5S)-5-(3-hydroxy-5-methoxyphenyl)-4-(hydroxymethyl)tetrahydro-3-furanyl]methanone [ACD/IUPAC Name]
(3,4-Diméthoxyphényl)[(3R,4R,5S)-5-(3-hydroxy-5-méthoxyphényl)-4-(hydroxyméthyl)tétrahydro-3-furanyl]méthanone [French] [ACD/IUPAC Name]
(3,4-dimethoxyphenyl)[(3R,4R,5S)-5-(3-hydroxy-5-methoxyphenyl)-4-(hydroxymethyl)tetrahydrofuran-3-yl]methanone
Methanone, (3,4-dimethoxyphenyl)[(3R,4R,5S)-tetrahydro-5-(3-hydroxy-5-methoxyphenyl)-4-(hydroxymethyl)-3-furanyl]- [ACD/Index Name]
(3,4-dimethoxyphenyl)((3R,4R,5S)-5-(3-hydroxy-5-methoxyphenyl)-4-(hydroxymethyl)-tetrahydrofuran-3-yl)methanone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL404194/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 604.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 212.5±25.0 °C
Index of Refraction: 1.574
Molar Refractivity: 102.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.69
ACD/KOC (pH 5.5): 440.65
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.35
ACD/KOC (pH 7.4): 436.25
Polar Surface Area: 94 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 310.0±3.0 cm3

Click to predict properties on the Chemicalize site


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