chempirical

C8-Ceramide

C26H51NO3CAS 74713-59-0425.70 g/mol

Open in Covalent MOL file
OHHONHO
AlcoholAlkene

Properties

Molecular formula
C26H51NO3
Molar mass
425.70 g/mol
Exact mass
425.3869 Da
logP
7.28Crippen estimate
Polar surface area
73.0 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
22
Stereocentres
R, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
74713-59-0
SMILES
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N=C(O)CCCCCCC
InChIKey
APDLCSPGWPLYEQ-WRBRXSDHSA-N
InChI
InChI=1S/C26H51NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(29)24(23-28)27-26(30)22-20-17-8-6-4-2/h19,21,24-25,28-29H,3-18,20,22-23H2,1-2H3,(H,27,30)/b21-19+/t24-,25+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Octanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-
  • Octanamide, N-[2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl]-, [R-[R*,S*-(E)]]-
  • Octanamide, N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl]-
  • N-[(1S,2R,3E)-2-Hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]octanamide
  • N-Octanoylsphingosine
  • N-Octanoyl-C18-sphingosine
  • D-Erythro-N-Octanoylsphingosine
  • N-Octanoyl-D-erythro-sphingosine
  • Ceramide 8
  • N-Octanoyl-D-sphingosine

Work with C8-Ceramide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Stearoylsphingomyelin58909-84-556 % similar Sphingosine123-78-453 % similar Dimethylsphingosine119567-63-451 % similar Oleoylethanolamide111-58-049 % similar Polyglycerol polyricinoleate29894-35-746 % similar Octanohydroxamic acid7377-03-943 % similar Glycerol 1-monooleate111-03-543 % similar Ricinoleic acid141-22-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook