ChemSpider 2D Image | bis-7-hydroxyerogorgiaene | C40H58O2

bis-7-hydroxyerogorgiaene

  • Molecular FormulaC40H58O2
  • Average mass570.887 Da
  • Monoisotopic mass570.443665 Da
  • ChemSpider ID8730475

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5S,5'R,8R,8'S)-3,3',8,8'-Tétraméthyl-5-[(2R)-6-méthyl-5-heptén-2-yl]-5'-[(2S)-6-méthyl-5-heptén-2-yl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphtalène-2,2'-diol [French] [ACD/IUPAC Name]
(5S,5'R,8R,8'S)-3,3',8,8'-Tetramethyl-5-[(2R)-6-methyl-5-hepten-2-yl]-5'-[(2S)-6-methyl-5-hepten-2-yl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene-2,2'-diol [ACD/IUPAC Name]
(5S,5'R,8R,8'S)-3,3',8,8'-Tetramethyl-5-[(2R)-6-methyl-5-hepten-2-yl]-5'-[(2S)-6-methyl-5-hepten-2-yl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalin-2,2'-diol [German] [ACD/IUPAC Name]
[1,1'-Binaphthalene]-2,2'-diol, 5-[(1R)-1,5-dimethyl-4-hexen-1-yl]-5'-[(1S)-1,5-dimethyl-4-hexen-1-yl]-5,5',6,6',7,7',8,8'-octahydro-3,3',8,8'-tetramethyl-, (5S,5'R,8R,8'S)- [ACD/Index Name]
bis-7-hydroxyerogorgiaene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 630.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 236.9±26.1 °C
Index of Refraction: 1.544
Molar Refractivity: 181.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 14.26
ACD/LogD (pH 5.5): 13.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 573.9±3.0 cm3

Click to predict properties on the Chemicalize site


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