ChemSpider 2D Image | (2S,3R,4E)-2-(Methylamino)-4-octadecene-1,3-diol | C19H39NO2

(2S,3R,4E)-2-(Methylamino)-4-octadecene-1,3-diol

  • Molecular FormulaC19H39NO2
  • Average mass313.518 Da
  • Monoisotopic mass313.298065 Da
  • ChemSpider ID57452171

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R,4E)-2-(Methylamino)-4-octadecen-1,3-diol [German] [ACD/IUPAC Name]
(2S,3R,4E)-2-(Methylamino)-4-octadecene-1,3-diol [ACD/IUPAC Name]
(2S,3R,4E)-2-(Méthylamino)-4-octadécène-1,3-diol [French] [ACD/IUPAC Name]
4-Octadecene-1,3-diol, 2-(methylamino)-, (2S,3R,4E)- [ACD/Index Name]
(2S,3R,4E)-2-(METHYLAMINO)OCTADEC-4-ENE-1,3-DIOL
2700-62-1 [RN]
Monomethyl Sphingosine (d18:1)
N-Methyl-D-erythro-sphingosine

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

Density: 0.9±0.1 g/cm3
Boiling Point: 445.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±6.0 kJ/mol
Flash Point: 59.5±19.3 °C
Index of Refraction: 1.480
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 36.97
ACD/KOC (pH 5.5): 73.91
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 1403.59
ACD/KOC (pH 7.4): 2805.74
Polar Surface Area: 52 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 340.4±3.0 cm3

Click to predict properties on the Chemicalize site


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