ChemSpider 2D Image | (4E)-2-({[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl}amino)-4-octadecene-1,3-diol | C26H46N2O4

(4E)-2-({[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl}amino)-4-octadecene-1,3-diol

  • Molecular FormulaC26H46N2O4
  • Average mass450.654 Da
  • Monoisotopic mass450.345764 Da
  • ChemSpider ID57502469

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-2-({[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl}amino)-4-octadecen-1,3-diol [German] [ACD/IUPAC Name]
(4E)-2-({[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl}amino)-4-octadecene-1,3-diol [ACD/IUPAC Name]
(4E)-2-({[3-Hydroxy-5-(hydroxyméthyl)-2-méthyl-4-pyridinyl]méthyl}amino)-4-octadécène-1,3-diol [French] [ACD/IUPAC Name]
4-Octadecene-1,3-diol, 2-[[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]amino]-, (4E)- [ACD/Index Name]
2-({[3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-4-YL]METHYL}AMINO)OCTADEC-4-ENE-1,3-DIOL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 665.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.0±31.5 °C
Index of Refraction: 1.539
Molar Refractivity: 132.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 9647.20
ACD/KOC (pH 5.5): 18706.49
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23021.24
ACD/KOC (pH 7.4): 44639.54
Polar Surface Area: 106 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 422.8±3.0 cm3

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