ChemSpider 2D Image | (5S,6R)-5-[(2R)-2-(Benzyloxy)tridecyl]-6-hexyl-2,4,8,10-tetraoxaundecane | C33H60O5

(5S,6R)-5-[(2R)-2-(Benzyloxy)tridecyl]-6-hexyl-2,4,8,10-tetraoxaundecane

  • Molecular FormulaC33H60O5
  • Average mass536.826 Da
  • Monoisotopic mass536.444092 Da
  • ChemSpider ID9809938

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S,6R)-5-[(2R)-2-(Benzyloxy)tridecyl]-6-hexyl-2,4,8,10-tetraoxaundecan [German] [ACD/IUPAC Name]
(5S,6R)-5-[(2R)-2-(Benzyloxy)tridecyl]-6-hexyl-2,4,8,10-tetraoxaundecane [ACD/IUPAC Name]
(5S,6R)-5-[(2R)-2-(Benzyloxy)tridécyl]-6-hexyl-2,4,8,10-tétraoxaundécane [French] [ACD/IUPAC Name]
2,4,8,10-Tetraoxaundecane, 6-hexyl-5-[(2R)-2-(phenylmethoxy)tridecyl]-, (5S,6R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 583.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 206.4±30.0 °C
Index of Refraction: 1.476
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 10.52
ACD/LogD (pH 5.5): 10.51
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.51
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 46 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 567.9±3.0 cm3

Click to predict properties on the Chemicalize site


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