ChemSpider 2D Image | 4-{Hydroxy[(3R,4S)-4-(4-hydroxy-3-methoxybenzyl)tetrahydro-3-furanyl]methyl}-2-methoxyphenol | C20H24O6

4-{Hydroxy[(3R,4S)-4-(4-hydroxy-3-methoxybenzyl)tetrahydro-3-furanyl]methyl}-2-methoxyphenol

  • Molecular FormulaC20H24O6
  • Average mass360.401 Da
  • Monoisotopic mass360.157288 Da
  • ChemSpider ID23339311

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

3-Furanmethanol, tetrahydro-α-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4S)- [ACD/Index Name]
4-{Hydroxy[(3R,4S)-4-(4-hydroxy-3-methoxybenzyl)tetrahydro-3-furanyl]methyl}-2-methoxyphenol [German] [ACD/IUPAC Name]
4-{Hydroxy[(3R,4S)-4-(4-hydroxy-3-methoxybenzyl)tetrahydro-3-furanyl]methyl}-2-methoxyphenol [ACD/IUPAC Name]
4-{Hydroxy[(3R,4S)-4-(4-hydroxy-3-méthoxybenzyl)tétrahydro-3-furanyl]méthyl}-2-méthoxyphénol [French] [ACD/IUPAC Name]
4-{hydroxy[(3R,4S)-4-(4-hydroxy-3-methoxybenzyl)tetrahydrofuran-3-yl]methyl}-2-methoxyphenol
7'-hydroxydivanillyltetrahydrofuran
CHEMBL517783
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517783/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.6±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.56
ACD/KOC (pH 5.5): 175.13
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.52
ACD/KOC (pH 7.4): 174.42
Polar Surface Area: 88 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 279.5±3.0 cm3

Click to predict properties on the Chemicalize site


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