ChemSpider 2D Image | N-(11Z)-icosenoylsphinganine | C38H75NO3

N-(11Z)-icosenoylsphinganine

  • Molecular FormulaC38H75NO3
  • Average mass594.007 Da
  • Monoisotopic mass593.574707 Da
  • ChemSpider ID34999632

  • 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

(11Z)-N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-11-icosenamid [German] [ACD/IUPAC Name]
(11Z)-N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-11-icosenamide [ACD/IUPAC Name]
(11Z)-N-[(2S,3R)-1,3-Dihydroxy-2-octadécanyl]-11-icosénamide [French] [ACD/IUPAC Name]
11-Eicosenamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-, (11Z)- [ACD/Index Name]
N-(11Z)-icosenoylsphinganine
(11Z)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]icos-11-enamide
C20:1n-9 DHCer
Cer(d18:0/20:1(11Z))
Cer(d18:0/20:1n-9)
N-(11Z)-eicosenoyldihydrosphingosine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 713.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.1±6.0 kJ/mol
Flash Point: 385.2±30.1 °C
Index of Refraction: 1.479
Molar Refractivity: 184.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 15.07
ACD/LogD (pH 5.5): 13.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 651.1±3.0 cm3

Click to predict properties on the Chemicalize site


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