ChemSpider 2D Image | 4-[(2R,3S,4S)-4-(4-Hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2,6-dimethoxyphenol | C21H26O7

4-[(2R,3S,4S)-4-(4-Hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2,6-dimethoxyphenol

  • Molecular FormulaC21H26O7
  • Average mass390.427 Da
  • Monoisotopic mass390.167847 Da
  • ChemSpider ID23327113

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-Furanmethanol, tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-, (2R,3S,4S)- [ACD/Index Name]
4-[(2R,3S,4S)-4-(4-Hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2,6-dimethoxyphenol [German] [ACD/IUPAC Name]
4-[(2R,3S,4S)-4-(4-Hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2,6-dimethoxyphenol [ACD/IUPAC Name]
4-[(2R,3S,4S)-4-(4-Hydroxy-3-méthoxybenzyl)-3-(hydroxyméthyl)tétrahydro-2-furanyl]-2,6-diméthoxyphénol [French] [ACD/IUPAC Name]
(±)-5'-methoxylariciresinol
105256-12-0 [RN]
4-[(2R,3S,4S)-4-(4-hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2,6-dimethoxyphenol
4-[(2R,3S,4S)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenol
5'-Methoxylariciresinol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519091/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 587.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 309.1±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 103.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 9.95
ACD/KOC (pH 5.5): 180.26
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.90
ACD/KOC (pH 7.4): 179.38
Polar Surface Area: 98 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 309.7±3.0 cm3

Click to predict properties on the Chemicalize site


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