Found 1 result

Search term: 113381094 (Found by CSID)
ChemSpider 2D Image | (9Z)-N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]-9-octadecenamide | C36H67NO3

(9Z)-N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]-9-octadecenamide

  • Molecular FormulaC36H67NO3
  • Average mass561.922 Da
  • Monoisotopic mass561.512085 Da
  • ChemSpider ID113381094

  • 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

(9Z)-N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]-9-octadecenamid [German] [ACD/IUPAC Name]
(9Z)-N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadecadien-2-yl]-9-octadecenamide [ACD/IUPAC Name]
(9Z)-N-[(2S,3R,4E,14Z)-1,3-Dihydroxy-4,14-octadécadién-2-yl]-9-octadécénamide [French] [ACD/IUPAC Name]
9-Octadecenamide, N-[(1S,2R,3E,13Z)-2-hydroxy-1-(hydroxymethyl)-3,13-heptadecadien-1-yl]-, (9Z)- [ACD/Index Name]
Cer(d18:2/18:1)
Cer[NS]
N-(9Z-octadecenoyl)-4E,14Z-sphingadienine

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

Density: 0.9±0.1 g/cm3
Boiling Point: 694.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.2±6.0 kJ/mol
Flash Point: 373.5±31.5 °C
Index of Refraction: 1.492
Molar Refractivity: 175.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 13.36
ACD/LogD (pH 5.5): 11.06
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.06
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 605.3±3.0 cm3

Click to predict properties on the Chemicalize site


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