ChemSpider 2D Image | N-heptadecanoyl-14-methylhexadecasphingosine | C34H67NO3

N-heptadecanoyl-14-methylhexadecasphingosine

  • Molecular FormulaC34H67NO3
  • Average mass537.901 Da
  • Monoisotopic mass537.512085 Da
  • ChemSpider ID58170155

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Heptadecanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-13-methyl-3-pentadecen-1-yl]- [ACD/Index Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-14-methyl-4-hexadecen-2-yl]heptadecanamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-14-methyl-4-hexadecen-2-yl]heptadecanamide [ACD/IUPAC Name]
N-[(2S,3R,4E)-1,3-Dihydroxy-14-méthyl-4-hexadécén-2-yl]heptadécanamide [French] [ACD/IUPAC Name]
N-heptadecanoyl-14-methylhexadecasphingosine
Cer 34:1
N-[(2S,3R,4E)-1,3-dihydroxy-14-methylhexadec-4-en-2-yl]heptadecanamide
N-heptadecanoyl-14-methylhexadecasphing-4-enine

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

3 [DBID]
  • Miscellaneous

    • Chemical Class:

      A ceramide obtained by formal condensation of the carboxy group of heptadecanoic acid with the amino group of 14-methylhexadecasphingosine. It is a metabolite of the nematode <ital>Caenorhabditis eleg ans</ital>. ChEBI CHEBI:131539
      A ceramide obtained by formal condensation of the carboxy group of heptadecanoic acid with the amino group of 14-methylhexadecasphingosine. It is a metabolite of the nematode Caenorhabditis eleg; ans. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:131539
      A ceramide obtained by formal condensation of the carboxy group of heptadecanoic acid with the amino group of 14-methylhexadecasphingosine. It is a metabolite of the nematode Caenorhabditis elegans. ChEBI CHEBI:131539

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

Density: 0.9±0.1 g/cm3
Boiling Point: 672.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 360.2±31.5 °C
Index of Refraction: 1.480
Molar Refractivity: 166.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 13.15
ACD/LogD (pH 5.5): 11.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 585.5±3.0 cm3

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