ChemSpider 2D Image | (1E)-1-{[3-{[(1E)-1-Hydroxy-1-hexadecen-1-yl]oxy}-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxy}-1-hexadecen-1-ol | C40H71NO5

(1E)-1-{[3-{[(1E)-1-Hydroxy-1-hexadecen-1-yl]oxy}-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxy}-1-hexadecen-1-ol

  • Molecular FormulaC40H71NO5
  • Average mass645.995 Da
  • Monoisotopic mass645.533203 Da
  • ChemSpider ID95556580

More details:

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

(1E)-1-{[3-{[(1E)-1-Hydroxy-1-hexadecen-1-yl]oxy}-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxy}-1-hexadecen-1-ol [German] [ACD/IUPAC Name]
(1E)-1-{[3-{[(1E)-1-Hydroxy-1-hexadecen-1-yl]oxy}-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methoxy}-1-hexadecen-1-ol [ACD/IUPAC Name]
(1E)-1-{[3-{[(1E)-1-Hydroxy-1-hexadécén-1-yl]oxy}-5-(hydroxyméthyl)-2-méthyl-4-pyridinyl]méthoxy}-1-hexadécén-1-ol [French] [ACD/IUPAC Name]
3-Pyridinemethanol, 5-[[(1E)-1-hydroxy-1-hexadecen-1-yl]oxy]-4-[[[(1E)-1-hydroxy-1-hexadecen-1-yl]oxy]methyl]-6-methyl- [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: 751.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 408.2±32.9 °C
Index of Refraction: 1.510
Molar Refractivity: 195.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 2
ACD/LogP: 15.86
ACD/LogD (pH 5.5): 13.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 92 Å2
Polarizability: 77.5±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 653.0±3.0 cm3

Click to predict properties on the Chemicalize site


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