ChemSpider 2D Image | (3R,4R)-3-(1,3-Benzodioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)tetrahydro-2-furanol | C21H24O6

(3R,4R)-3-(1,3-Benzodioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)tetrahydro-2-furanol

  • Molecular FormulaC21H24O6
  • Average mass372.412 Da
  • Monoisotopic mass372.157288 Da
  • ChemSpider ID28532958

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3R,4R)-3-(1,3-Benzodioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)tetrahydro-2-furanol [German] [ACD/IUPAC Name]
(3R,4R)-3-(1,3-Benzodioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)tetrahydro-2-furanol [ACD/IUPAC Name]
(3R,4R)-3-(1,3-Benzodioxol-5-ylméthyl)-4-(3,4-diméthoxybenzyl)tétrahydro-2-furanol [French] [ACD/IUPAC Name]
2-Furanol, 3-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]tetrahydro-, (3R,4R)- [ACD/Index Name]
(-)-3,4-dimethoxy-3,4-desmethylenedioxycubebin
(3R,4R)-3-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)tetrahydrofuran-2-ol
3-(2H-1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-ol
9-hydroxy-3',4'-dimethoxy-3,4-methylenedioxy-9,9'-epoxylignan

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

Density: 1.3±0.1 g/cm3
Boiling Point: 524.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 271.0±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.25
ACD/KOC (pH 5.5): 781.55
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.25
ACD/KOC (pH 7.4): 781.55
Polar Surface Area: 66 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 292.5±3.0 cm3

Click to predict properties on the Chemicalize site


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