ChemSpider 2D Image | (3S,4R)-4-(Benzyloxy)-3-{[(2-methoxybenzyl)oxy]methyl}nonadecanal | C35H54O4

(3S,4R)-4-(Benzyloxy)-3-{[(2-methoxybenzyl)oxy]methyl}nonadecanal

  • Molecular FormulaC35H54O4
  • Average mass538.801 Da
  • Monoisotopic mass538.402222 Da
  • ChemSpider ID9246743

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-4-(Benzyloxy)-3-{[(2-methoxybenzyl)oxy]methyl}nonadecanal [ACD/IUPAC Name]
(3S,4R)-4-(Benzyloxy)-3-{[(2-methoxybenzyl)oxy]methyl}nonadecanal [German] [ACD/IUPAC Name]
(3S,4R)-4-(Benzyloxy)-3-{[(2-méthoxybenzyl)oxy]méthyl}nonadécanal [French] [ACD/IUPAC Name]
Nonadecanal, 3-[[(2-methoxyphenyl)methoxy]methyl]-4-(phenylmethoxy)-, (3S,4R)- [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: 630.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 257.6±31.5 °C
Index of Refraction: 1.508
Molar Refractivity: 163.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 11.89
ACD/LogD (pH 5.5): 11.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 45 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 547.9±3.0 cm3

Click to predict properties on the Chemicalize site


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