N-(Hexanoyl)Sphing-4-Enine

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Properties Simple | Detailed

Formula C24H47NO3
IUPAC Name n-[(e)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]hexanamide
Molecular Mass 397.635 g·mol−1
Heat of Formation -944.1 ± 16.7 kJ·mol−1
Dipole Moment 0.56 ± 1.08 D
Volume 574.46 Å 3
Surface Area 533.87 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 3.85 ± eV
Point Group Symmetry C1
Synonyms
  • c<sub>6</sub> ceramide
  • d-<i>erythro</i>-sphingosine, n-hexanoyl-
  • hsci1_000109
  • n-[(e,1s,2r)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]hexanamide
  • n-[(e,1s,2r)-2-hydroxy-1-methylol-heptadec-3-enyl]hexanamide
  • n-[(e,2s,3r)-1,3-dihydroxyoctadec-4-en-2-yl]hexanamide
  • smp2_000293
InChIKey NPRJSFWNFTXXQC-QFWQFVLDSA-N
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