ChemSpider 2D Image | (+)-Sesamolin | C20H18O7

(+)-Sesamolin

  • Molecular FormulaC20H18O7
  • Average mass370.353 Da
  • Monoisotopic mass370.105255 Da
  • ChemSpider ID28536186

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(+)-Sesamolin
1,3-Benzodioxole, 5-[(1R,3aS,4S,6aS)-4-(1,3-benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]- [ACD/Index Name]
5-[(1R,3aS,4S,6aS)-4-(1,3-Benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol [German] [ACD/IUPAC Name]
5-[(1R,3aS,4S,6aS)-4-(1,3-Benzodioxol-5-yloxy)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole [ACD/IUPAC Name]
5-[(1R,3aS,4S,6aS)-4-(1,3-Benzodioxol-5-yloxy)tétrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole [French] [ACD/IUPAC Name]
Sesamolin [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 520.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 219.2±30.0 °C
Index of Refraction: 1.622
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.96
ACD/KOC (pH 5.5): 588.39
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.96
ACD/KOC (pH 7.4): 588.39
Polar Surface Area: 65 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 261.1±3.0 cm3

Click to predict properties on the Chemicalize site


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