ChemSpider 2D Image | 3a,10a-Dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-3-oxo-3,3a,4,6a,7,8,9,10,10a,10b-decahydrobenzo[e]azulen-8-yl myristate | C31H50O6

3a,10a-Dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-3-oxo-3,3a,4,6a,7,8,9,10,10a,10b-decahydrobenzo[e]azulen-8-yl myristate

  • Molecular FormulaC31H50O6
  • Average mass518.725 Da
  • Monoisotopic mass518.360718 Da
  • ChemSpider ID467232

More details:






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

3a,10a-Dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-3-oxo-3,3a,4,6a,7,8,9,10,10a,10b-decahydrobenzo[e]azulen-8-yl myristate [ACD/IUPAC Name]
3a,10a-Dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-3-oxo-3,3a,4,6a,7,8,9,10,10a,10b-decahydrobenzo[e]azulen-8-ylmyristat [German] [ACD/IUPAC Name]
Myristate de 3a,10a-dihydroxy-5-(hydroxyméthyl)-2,10-diméthyl-3-oxo-3,3a,4,6a,7,8,9,10,10a,10b-décahydrobenzo[e]azulén-8-yle [French] [ACD/IUPAC Name]
Tetradecanoic acid, 3,3a,4,6a,7,8,9,10,10a,10b-decahydro-3a,10a-dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-3-oxobenz[e]azulen-8-yl ester [ACD/Index Name]
Tetradecanoic acid, 3,3a,4,6a,7,8,9,10,10a,10b-decahydro-3a,10a-dihydroxy-5-(hydroxymethyl)-2,10-dimethyl-3-oxobenz[e]azulen-8-yl ester, [3aR-(3aα,6aα,8α,10β,10aβ,10bβ)]-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 653.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±6.0 kJ/mol
Flash Point: 202.7±25.0 °C
Index of Refraction: 1.544
Molar Refractivity: 145.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 7.37
ACD/BCF (pH 5.5): 235613.94
ACD/KOC (pH 5.5): 243778.98
ACD/LogD (pH 7.4): 7.37
ACD/BCF (pH 7.4): 235591.94
ACD/KOC (pH 7.4): 243756.23
Polar Surface Area: 104 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 460.1±5.0 cm3

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