ChemSpider 2D Image | (3R,3'S,5'R)-3-Hydroxy-6'-oxo-beta,kappa-caroten-3'-yl myristate | C54H82O4

(3R,3'S,5'R)-3-Hydroxy-6'-oxo-β,κ-caroten-3'-yl myristate

  • Molecular FormulaC54H82O4
  • Average mass795.227 Da
  • Monoisotopic mass794.621338 Da
  • ChemSpider ID8435201

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,3'S,5'R)-3-Hydroxy-6'-oxo-β,κ-caroten-3'-yl myristate [ACD/IUPAC Name]
(3R,3'S,5'R)-3-Hydroxy-6'-oxo-β,κ-carotin-3'-ylmyristat [German] [ACD/IUPAC Name]
Myristate de (3R,3'S,5'R)-3-hydroxy-6'-oxo-β,κ-carotén-3'-yle [French] [ACD/IUPAC Name]
Tetradecanoic acid, (3R,3'S,5'R)-3-hydroxy-6'-oxo-β,κ-caroten-3'-yl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 836.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.2±6.0 kJ/mol
Flash Point: 224.8±27.8 °C
Index of Refraction: 1.537
Molar Refractivity: 249.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 17.18
ACD/LogD (pH 5.5): 15.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 64 Å2
Polarizability: 98.8±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 798.2±5.0 cm3

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