ChemSpider 2D Image | 2-Methoxy-4-[(1S,3aR,4S,6aR)-4-(4-methyl-1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]phenol | C21H22O6

2-Methoxy-4-[(1S,3aR,4S,6aR)-4-(4-methyl-1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]phenol

  • Molecular FormulaC21H22O6
  • Average mass370.396 Da
  • Monoisotopic mass370.141632 Da
  • ChemSpider ID23326980

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Methoxy-4-[(1S,3aR,4S,6aR)-4-(4-methyl-1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]phenol [ACD/IUPAC Name]
2-Methoxy-4-[(1S,3aR,4S,6aR)-4-(4-methyl-1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]phenol [German] [ACD/IUPAC Name]
2-Méthoxy-4-[(1S,3aR,4S,6aR)-4-(4-méthyl-1,3-benzodioxol-5-yl)tétrahydro-1H,3H-furo[3,4-c]furan-1-yl]phénol [French] [ACD/IUPAC Name]
Phenol, 2-methoxy-4-[(1S,3aR,4S,6aR)-tetrahydro-4-(4-methyl-1,3-benzodioxol-5-yl)-1H,3H-furo[3,4-c]furan-1-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL462823/
kobusin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 536.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 278.5±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 97.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.56
ACD/KOC (pH 5.5): 868.80
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.24
ACD/KOC (pH 7.4): 865.67
Polar Surface Area: 66 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 283.3±3.0 cm3

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