ChemSpider 2D Image | 5-[2-(1-Hydroxy-1,4,4,6-tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-5-azulenyl)ethyl]-4a,6-dimethyloctahydro-2H-chromene-2,6-diol | C27H46O4

5-[2-(1-Hydroxy-1,4,4,6-tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-5-azulenyl)ethyl]-4a,6-dimethyloctahydro-2H-chromene-2,6-diol

  • Molecular FormulaC27H46O4
  • Average mass434.652 Da
  • Monoisotopic mass434.339600 Da
  • ChemSpider ID24620189

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2H-1-Benzopyran-2,6-diol, octahydro-4a,6-dimethyl-5-[2-(1,2,3,3a,4,5,8,8a-octahydro-1-hydroxy-1,4,4,6-tetramethyl-5-azulenyl)ethyl]- [ACD/Index Name]
5-[2-(1-Hydroxy-1,4,4,6-tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-5-azulenyl)ethyl]-4a,6-dimethyloctahydro-2H-chromen-2,6-diol [German] [ACD/IUPAC Name]
5-[2-(1-Hydroxy-1,4,4,6-tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-5-azulenyl)ethyl]-4a,6-dimethyloctahydro-2H-chromene-2,6-diol [ACD/IUPAC Name]
5-[2-(1-Hydroxy-1,4,4,6-tétraméthyl-1,2,3,3a,4,5,8,8a-octahydro-5-azulényl)éthyl]-4a,6-diméthyloctahydro-2H-chromène-2,6-diol [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 547.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.0±6.0 kJ/mol
Flash Point: 284.7±30.1 °C
Index of Refraction: 1.516
Molar Refractivity: 124.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4385.87
ACD/KOC (pH 5.5): 14079.14
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4385.86
ACD/KOC (pH 7.4): 14079.13
Polar Surface Area: 70 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 413.7±3.0 cm3

Click to predict properties on the Chemicalize site


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