ChemSpider 2D Image | 4-[(2S,3S,4R)-4-(4-Hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-1,2-benzenediol | C19H22O6

4-[(2S,3S,4R)-4-(4-Hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-1,2-benzenediol

  • Molecular FormulaC19H22O6
  • Average mass346.374 Da
  • Monoisotopic mass346.141632 Da
  • ChemSpider ID62572634

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,2-Benzenediol, 4-[(2S,3S,4R)-tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)-2-furanyl]- [ACD/Index Name]
4-[(2S,3S,4R)-4-(4-Hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(2S,3S,4R)-4-(4-Hydroxy-3-méthoxybenzyl)-3-(hydroxyméthyl)tétrahydro-2-furanyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(2S,3S,4R)-4-(4-Hydroxy-3-methoxybenzyl)-3-(hydroxymethyl)tetrahydro-2-furanyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 590.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 310.8±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 92.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.14
ACD/KOC (pH 5.5): 169.63
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.03
ACD/KOC (pH 7.4): 167.49
Polar Surface Area: 99 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 260.1±3.0 cm3

Click to predict properties on the Chemicalize site


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