ChemSpider 2D Image | Benzyl (2S,3S,5R)-2-hexyl-3-hydroxy-5-[(4-methoxybenzyl)oxy]hexadecanoate | C37H58O5

Benzyl (2S,3S,5R)-2-hexyl-3-hydroxy-5-[(4-methoxybenzyl)oxy]hexadecanoate

  • Molecular FormulaC37H58O5
  • Average mass582.853 Da
  • Monoisotopic mass582.428406 Da
  • ChemSpider ID114813089

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,5R)-2-Hexyl-3-hydroxy-5-[(4-méthoxybenzyl)oxy]hexadécanoate de benzyle [French] [ACD/IUPAC Name]
Benzyl (2S,3S,5R)-2-hexyl-3-hydroxy-5-[(4-methoxybenzyl)oxy]hexadecanoate [ACD/IUPAC Name]
Benzyl-(2S,3S,5R)-2-hexyl-3-hydroxy-5-[(4-methoxybenzyl)oxy]hexadecanoat [German] [ACD/IUPAC Name]
Hexadecanoic acid, 2-hexyl-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-, phenylmethyl ester, (2S,3S,5R)- [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: 669.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 195.7±25.0 °C
Index of Refraction: 1.513
Molar Refractivity: 173.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 11.94
ACD/LogD (pH 5.5): 11.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 65 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 578.6±3.0 cm3

Click to predict properties on the Chemicalize site


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