ChemSpider 2D Image | 6-[(2S,3R)-4-(6-Hydroxy-1,3-dihydro-2-benzofuran-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxol-5-ol | C21H24O5

6-[(2S,3R)-4-(6-Hydroxy-1,3-dihydro-2-benzofuran-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxol-5-ol

  • Molecular FormulaC21H24O5
  • Average mass356.412 Da
  • Monoisotopic mass356.162384 Da
  • ChemSpider ID24705030

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzodioxol-5-ol, 6-[(2S,3R)-4-(1,3-dihydro-6-hydroxy-5-isobenzofuranyl)-2,3-dimethylbutyl]- [ACD/Index Name]
6-[(2S,3R)-4-(6-Hydroxy-1,3-dihydro-2-benzofuran-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxol-5-ol [German] [ACD/IUPAC Name]
6-[(2S,3R)-4-(6-Hydroxy-1,3-dihydro-2-benzofuran-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxol-5-ol [ACD/IUPAC Name]
6-[(2S,3R)-4-(6-Hydroxy-1,3-dihydro-2-benzofuran-5-yl)-2,3-diméthylbutyl]-1,3-benzodioxol-5-ol [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL491385/
SAURURIN A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 553.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 288.8±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 97.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 700.71
ACD/KOC (pH 5.5): 3788.21
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 699.23
ACD/KOC (pH 7.4): 3780.19
Polar Surface Area: 68 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 277.9±3.0 cm3

Click to predict properties on the Chemicalize site


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