Galactosylceramide
Athanor · official
C48H93NO8 · 812.3 g/mol
IUPAC name: N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]tetracosanamide
Also called GalCer, cerebroside, galactocerebroside, myelin lipid
Names and identifiers
- IUPAC name
- N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]tetracosanamide
- Synonyms
- GalCer, cerebroside, galactocerebroside
+ 22 more
myelin lipid, Cerasine, beta-D-galactosyl-N-(tetracosanoyl)sphingosine, N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]tetracosanamide, beta-D-Galactosyl-N-(n-acyl)-D-sphingosine, CHEBI:75186, Galbeta-Cer(d18:1/24:0), beta-GalCer, GalCer(d18:1/24:0), N-[(2S,3R,4E)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide, (R-(R*,S*-(E)))-N-(1-((beta-D-Galactopyranosyloxy)methyl)-2-hydroxy-3-heptadecenyl)tetracosanamide, N-[(2s,3r)-1-(Beta-D-Galactopyranosyloxy)-3-Hydroxyoctadec-4-En-2-Yl]tetracosanamide, beta-Galactosylceramide, Cerebrosides - Kerasin, Epitope ID:189020, LMSP0501AC05, orb1692646, SCHEMBL28765762, MC34869, T37717, Q27145159, Galactosylceramide with mostly non-hydroxy fatty acid side chain
- Molecular formula
- C48H93NO8
- Empirical formula
- C48H93NO8
- Molecular weight
- 812.3 g/mol
- Exact mass
- 811.69012
- CAS number
- 23405-58-5
- PubChem CID
- 6452860
- Canonical SMILES
- CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCCCCCCCCCCCC)O
- Isomeric SMILES
- CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
- InChI
- InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47+,48+/m0/s1
- InChIKey
- POQRWMRXUOPCLD-HIIAJUEOSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 57
- Rings
- 1
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0.94
- H-bond donors
- 6
- H-bond acceptors
- 8
- Rotatable bonds
- 41
- TPSA (Ų)
- 148.7 computed here · PubChem 149
- Formal charge
- 0
- XLogP3
- 15.6 PubChem
- Complexity
- 906 PubChem
- Stereocenters
- 7 definedCIP: C27: S · C30: R · C32: R · C35: R · C37: S · C39: R · C41: R
- Double-bond geometry
- C43=C44: E
- Point group
- C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C70.98%
- H11.54%
- N1.72%
- O15.76%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- 10.51 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -8.79 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 4.56 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 812.27
- log P ≤ 5 (Crippen): 10.51
- H-bond donors ≤ 5: 6
- H-bond acceptors ≤ 10: 8
Breaks 3 of the four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
No GHS hazard classification was found in the sources.
Safety data sheets on the supplier’s page: J&H Chemical Co.,ltd, BenchChem, EvitaChem.
Always read the supplier’s safety data sheet before working with it.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.