ChemSpider 2D Image | (1Z)-N-[(2S,3S,4R,8Z)-1,3,4-Trihydroxy-8-octadecen-2-yl]icosanimidic acid | C38H75NO4

(1Z)-N-[(2S,3S,4R,8Z)-1,3,4-Trihydroxy-8-octadecen-2-yl]icosanimidic acid

  • Molecular FormulaC38H75NO4
  • Average mass610.006 Da
  • Monoisotopic mass609.569580 Da
  • ChemSpider ID58837957

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1Z)-N-[(2S,3S,4R,8Z)-1,3,4-Trihydroxy-8-octadecen-2-yl]icosanimidic acid [ACD/IUPAC Name]
(1Z)-N-[(2S,3S,4R,8Z)-1,3,4-Trihydroxy-8-octadecen-2-yl]icosanimidsäure [German] [ACD/IUPAC Name]
Acide (1Z)-N-[(2S,3S,4R,8Z)-1,3,4-trihydroxy-8-octadécén-2-yl]icosanimidique [French] [ACD/IUPAC Name]
Eicosanimidic acid, N-[(1S,2S,3R,7Z)-2,3-dihydroxy-1-(hydroxymethyl)-7-heptadecen-1-yl]-, (1Z)- [ACD/Index Name]
(8Z)-4-hydroxy-sphing-8-enine-20:0
(8Z)-4-hydroxy-sphing-8-enine-20:0 ceramide
(8Z)-4-hydroxy-sphing-8-enine-arachidic acid
(8Z)-4-hydroxy-sphing-8-enine-eicosanoate
(8Z)-4-hydroxy-sphing-8-enine-eicosanoic acid
4-hydroxy-cis-8-sphingenine-20:0
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 723.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.7±6.0 kJ/mol
Flash Point: 504.4±24.9 °C
Index of Refraction: 1.490
Molar Refractivity: 183.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 14.95
ACD/LogD (pH 5.5): 13.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 93 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 35.3±7.0 dyne/cm
Molar Volume: 635.4±7.0 cm3

Click to predict properties on the Chemicalize site


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