ChemSpider 2D Image | N-[(17Z)-hexacosenoyl]sphinganine | C44H87NO3

N-[(17Z)-hexacosenoyl]sphinganine

  • Molecular FormulaC44H87NO3
  • Average mass678.167 Da
  • Monoisotopic mass677.668579 Da
  • ChemSpider ID4446691

  • 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

(17Z)-N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-17-hexacosenamid [German] [ACD/IUPAC Name]
(17Z)-N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]-17-hexacosenamide [ACD/IUPAC Name]
(17Z)-N-[(2S,3R)-1,3-Dihydroxy-2-octadécanyl]-17-hexacosénamide [French] [ACD/IUPAC Name]
17-Hexacosenamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-, (17Z)- [ACD/Index Name]
N-[(17Z)-hexacosenoyl]sphinganine
(17Z)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]hexacos-17-enamide
C26:1DH Cer
Cer(d18:0/26:1(17Z))
Cer[NdS]
N-(17Z-hexacosenoyl)-dihydroceramide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMSP02020013 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 767.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.5±6.0 kJ/mol
Flash Point: 418.2±30.1 °C
Index of Refraction: 1.479
Molar Refractivity: 212.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 18.26
ACD/LogD (pH 5.5): 16.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 84.3±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 750.1±3.0 cm3

Click to predict properties on the Chemicalize site


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