ChemSpider 2D Image | (1Z)-N-[(2S,3R,8E)-1,3-Dihydroxy-8-octadecen-2-yl]nonadecanimidic acid | C37H73NO3

(1Z)-N-[(2S,3R,8E)-1,3-Dihydroxy-8-octadecen-2-yl]nonadecanimidic acid

  • Molecular FormulaC37H73NO3
  • Average mass579.980 Da
  • Monoisotopic mass579.559021 Da
  • ChemSpider ID58837394

  • 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

(1Z)-N-[(2S,3R,8E)-1,3-Dihydroxy-8-octadecen-2-yl]nonadecanimidic acid [ACD/IUPAC Name]
(1Z)-N-[(2S,3R,8E)-1,3-Dihydroxy-8-octadecen-2-yl]nonadecanimidsäure [German] [ACD/IUPAC Name]
Acide (1Z)-N-[(2S,3R,8E)-1,3-dihydroxy-8-octadécén-2-yl]nonadécanimidique [French] [ACD/IUPAC Name]
Nonadecanimidic acid, N-[(1S,2R,7E)-2-hydroxy-1-(hydroxymethyl)-7-heptadecen-1-yl]-, (1Z)- [ACD/Index Name]
8(E)-sphingenine-19:0
nonadecanoyl-sphing-trans-8-enine
sphing-8(E)-enine-19:0
sphing-8(E)-enine-19:0, ceramide
sphing-8(E)-enine-nonadecanoate
sphing-8(E)-enine-nonadecanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 687.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.3±6.0 kJ/mol
Flash Point: 477.0±23.5 °C
Index of Refraction: 1.485
Molar Refractivity: 178.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 2
ACD/LogP: 15.40
ACD/LogD (pH 5.5): 13.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 34.2±7.0 dyne/cm
Molar Volume: 622.1±7.0 cm3

Click to predict properties on the Chemicalize site


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