ChemSpider 2D Image | Clemaphenol A | C20H22O6

Clemaphenol A

  • Molecular FormulaC20H22O6
  • Average mass358.385 Da
  • Monoisotopic mass358.141632 Da
  • ChemSpider ID30791570

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3,3'-(1S,3aR,4S,6aR)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(6-methoxyphenol) [German] [ACD/IUPAC Name]
3,3'-(1S,3aR,4S,6aR)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diylbis(6-methoxyphenol) [ACD/IUPAC Name]
3,3'-(1S,3aR,4S,6aR)-Tétrahydro-1H,3H-furo[3,4-c]furane-1,4-diylbis(6-méthoxyphénol) [French] [ACD/IUPAC Name]
362606-60-8 [RN]
Clemaphenol A
Phenol, 3,3'-[(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[6-methoxy- [ACD/Index Name]
5-[(3S,3aR,6S,6aR)-6-(3-hydroxy-4-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 560.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 292.5±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.39
ACD/KOC (pH 5.5): 257.58
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.23
ACD/KOC (pH 7.4): 255.19
Polar Surface Area: 77 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 278.3±3.0 cm3

Click to predict properties on the Chemicalize site


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