ChemSpider 2D Image | N-arachidonoylsphinganine | C38H69NO3

N-arachidonoylsphinganine

  • Molecular FormulaC38H69NO3
  • Average mass587.959 Da
  • Monoisotopic mass587.527771 Da
  • ChemSpider ID34999603

  • 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

(5Z,8Z,11Z,14Z)-N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-5,8,11,14-icosatetraenamid [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-5,8,11,14-icosatetraenamide [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-N-[(2S,3R)-1,3-Dihydroxy-2-octadécanyl]-5,8,11,14-icosatétraénamide [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
N-arachidonoylsphinganine
(5Z,8Z,11Z,14Z)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]icosa-5,8,11,14-tetraenamide
Cer(d18:0/20:4n-6)
DHCer C20:4(n-6)
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)dihydrosphingosine
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sphinganine
More...

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

Density: 0.9±0.1 g/cm3
Boiling Point: 712.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.0±6.0 kJ/mol
Flash Point: 384.7±32.9 °C
Index of Refraction: 1.497
Molar Refractivity: 184.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 2
ACD/LogP: 13.32
ACD/LogD (pH 5.5): 11.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 632.0±3.0 cm3

Click to predict properties on the Chemicalize site


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