ChemSpider 2D Image | 0J8C029Q37 | C22H28O8

0J8C029Q37

  • Molecular FormulaC22H28O8
  • Average mass420.453 Da
  • Monoisotopic mass420.178406 Da
  • ChemSpider ID28283025
  • defined stereocentres - 3 of 3 defined stereocentres


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(+)-5,5'-dimethoxylariciresinol
0J8C029Q37
116498-58-9 [RN]
3-Furanmethanol, tetrahydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-, (2S,3R,4R)- [ACD/Index Name]
4-[(2S,3R,4R)-4-(4-Hydroxy-3,5-dimethoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2,6-dimethoxyphenol [German] [ACD/IUPAC Name]
4-[(2S,3R,4R)-4-(4-Hydroxy-3,5-dimethoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-2,6-dimethoxyphenol [ACD/IUPAC Name]
4-[(2S,3R,4R)-4-(4-Hydroxy-3,5-diméthoxybenzyl)-3-(hydroxyméthyl)tétrahydro-2-furanyl]-2,6-diméthoxyphénol [French] [ACD/IUPAC Name]
(+)-(7S,8R,8'R)-5,5'-dimethoxylariciresinol
[116498-58-9]
4-[(2S,3R,4R)-4-(4-hydroxy-3,5-dimethoxybenzyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl]-2,6-dimethoxyphenol
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  • Miscellaneous
    • Chemical Class:

      A lignan that is (+)-lariciresinol substituted by additional methoxy groups at positions 5 and 5'. It has been isolated from them stems of <ital>Sinocalamus affinis</ital>. ChEBI CHEBI:67650

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 609.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 322.6±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.76
ACD/KOC (pH 5.5): 136.65
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.73
ACD/KOC (pH 7.4): 135.99
Polar Surface Area: 107 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 333.7±3.0 cm3

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