ChemSpider 2D Image | (3beta)-Cholest-5-en-3-yl (9E)-9-tetradecenoate | C41H70O2

(3β)-Cholest-5-en-3-yl (9E)-9-tetradecenoate

  • Molecular FormulaC41H70O2
  • Average mass594.993 Da
  • Monoisotopic mass594.537598 Da
  • ChemSpider ID4952659

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-Cholest-5-en-3-yl (9E)-9-tetradecenoate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-(9E)-9-tetradecenoat [German] [ACD/IUPAC Name]
(9E)-9-Tétradécénoate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
9-Tetradecenoic acid, (3β)-cholest-5-en-3-yl ester, (9E)- [ACD/Index Name]
[(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-tetradec-9-enoate
29193-93-9 [RN]
94345-53-6 [RN]
Cholest-5-en-3-ol (3β)-, 9-tetradecenoate
cholesteryl myristelaidate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 634.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.3±16.0 °C
Index of Refraction: 1.513
Molar Refractivity: 185.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 16.56
ACD/LogD (pH 5.5): 14.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.63
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: 38.2±5.0 dyne/cm
Molar Volume: 615.5±5.0 cm3

Click to predict properties on the Chemicalize site


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