ChemSpider 2D Image | (3R,4S)-3-(4-Hydroxy-3-methoxybenzyl)-4-methoxy-3,7-chromanediol | C18H20O6

(3R,4S)-3-(4-Hydroxy-3-methoxybenzyl)-4-methoxy-3,7-chromanediol

  • Molecular FormulaC18H20O6
  • Average mass332.348 Da
  • Monoisotopic mass332.125977 Da
  • ChemSpider ID28644798

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-3-(4-Hydroxy-3-methoxybenzyl)-4-methoxy-3,7-chromandiol [German] [ACD/IUPAC Name]
(3R,4S)-3-(4-Hydroxy-3-methoxybenzyl)-4-methoxy-3,7-chromanediol [ACD/IUPAC Name]
(3R,4S)-3-(4-Hydroxy-3-méthoxybenzyl)-4-méthoxy-3,7-chromanediol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-3,7-diol, 3,4-dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methoxy-, (3R,4S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 536.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 278.2±30.1 °C
Index of Refraction: 1.646
Molar Refractivity: 87.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.44
ACD/KOC (pH 5.5): 352.95
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.25
ACD/KOC (pH 7.4): 350.24
Polar Surface Area: 88 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 239.6±5.0 cm3

Click to predict properties on the Chemicalize site


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