ChemSpider 2D Image | (4aR,6R,6aS,7S,11aS,11bS)-4,4,7,11b-Tetramethyl-1,3,4,5,6,6a,7,11,11a,11b-decahydrophenanthro[3,2-b]furan-1,4a,5,6,7(2H)-pentol | C20H30O6

(4aR,6R,6aS,7S,11aS,11bS)-4,4,7,11b-Tetramethyl-1,3,4,5,6,6a,7,11,11a,11b-decahydrophenanthro[3,2-b]furan-1,4a,5,6,7(2H)-pentol

  • Molecular FormulaC20H30O6
  • Average mass366.449 Da
  • Monoisotopic mass366.204254 Da
  • ChemSpider ID95533481

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(4aR,6R,6aS,7S,11aS,11bS)-4,4,7,11b-Tetramethyl-1,3,4,5,6,6a,7,11,11a,11b-decahydrophenanthro[3,2-b]furan-1,4a,5,6,7(2H)-pentol [German] [ACD/IUPAC Name]
(4aR,6R,6aS,7S,11aS,11bS)-4,4,7,11b-Tetramethyl-1,3,4,5,6,6a,7,11,11a,11b-decahydrophenanthro[3,2-b]furan-1,4a,5,6,7(2H)-pentol [ACD/IUPAC Name]
(4aR,6R,6aS,7S,11aS,11bS)-4,4,7,11b-Tétraméthyl-1,3,4,5,6,6a,7,11,11a,11b-décahydrophénanthro[3,2-b]furane-1,4a,5,6,7(2H)-pentol [French] [ACD/IUPAC Name]
Phenanthro[3,2-b]furan-1,4a,5,6,7(2H)-pentol, 1,3,4,5,6,6a,7,11,11a,11b-decahydro-4,4,7,11b-tetramethyl-, (4aR,6R,6aS,7S,11aS,11bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 446.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 224.0±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.23
ACD/KOC (pH 5.5): 288.90
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.23
ACD/KOC (pH 7.4): 288.90
Polar Surface Area: 114 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 274.3±3.0 cm3

Click to predict properties on the Chemicalize site


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