ChemSpider 2D Image | Cholesterol Myristate | C41H72O2

Cholesterol Myristate

  • Molecular FormulaC41H72O2
  • Average mass597.009 Da
  • Monoisotopic mass596.553223 Da
  • ChemSpider ID89882

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl tetradecanoate
(3β)-cholest-5-en-3-ol 3-tetradecanoate
(3β)-Cholest-5-en-3-yl myristate [ACD/IUPAC Name]
(3β)-cholest-5-en-3-yl tetradecanoate
(3β)-Cholest-5-en-3-ylmyristat [German] [ACD/IUPAC Name]
1989-52-2 [RN]
217-867-8 [EINECS]
Cholesterol Myristate
Cholesterol, myristate
Cholesterol, myristate (8CI)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 226867 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 630.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 334.8±13.2 °C
Index of Refraction: 1.507
Molar Refractivity: 185.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 17.08
ACD/LogD (pH 5.5): 15.42
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.42
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 37.8±5.0 dyne/cm
Molar Volume: 622.1±5.0 cm3

Click to predict properties on the Chemicalize site


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