ChemSpider 2D Image | (1R)-1-{(4S,5R)-2,2-Dimethyl-5-[(1E)-1-tetradecen-1-yl]-1,3-dioxolan-4-yl}-2-(trityloxy)ethanol | C40H54O4

(1R)-1-{(4S,5R)-2,2-Dimethyl-5-[(1E)-1-tetradecen-1-yl]-1,3-dioxolan-4-yl}-2-(trityloxy)ethanol

  • Molecular FormulaC40H54O4
  • Average mass598.854 Da
  • Monoisotopic mass598.402222 Da
  • ChemSpider ID9436932
  • 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

(1R)-1-{(4S,5R)-2,2-Dimethyl-5-[(1E)-1-tetradecen-1-yl]-1,3-dioxolan-4-yl}-2-(trityloxy)ethanol [ACD/IUPAC Name]
(1R)-1-{(4S,5R)-2,2-Dimethyl-5-[(1E)-1-tetradecen-1-yl]-1,3-dioxolan-4-yl}-2-(trityloxy)ethanol [German] [ACD/IUPAC Name]
(1R)-1-{(4S,5R)-2,2-Diméthyl-5-[(1E)-1-tétradécén-1-yl]-1,3-dioxolan-4-yl}-2-(trityloxy)éthanol [French] [ACD/IUPAC Name]
1,3-Dioxolane-4-methanol, 2,2-dimethyl-5-[(1E)-1-tetradecen-1-yl]-α-[(triphenylmethoxy)methyl]-, (αR,4S,5R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 672.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.5±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 183.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 14.16
ACD/LogD (pH 5.5): 12.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 48 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 570.4±3.0 cm3

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