| CAS Number | 41613-16-5 |
| Catalog Number | AG00CILC(AGN-PC-0RQUDC) |
| Chemical Name | C8 Galactosylceramide (d18:1/8:0) |
| IUPAC Name | N-[(E,2S,3R)-3-hydroxy-1-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]octanamide |
| InChI | InChI=1S/C32H61NO8/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-26(35)25(33-28(36)22-20-17-8-6-4-2)24-40-32-31(39)30(38)29(37)27(23-34)41-32/h19,21,25-27,29-32,34-35,37-39H,3-18,20,22-24H2,1-2H3,(H,33,36)/b21-19+/t25-,26+,27?,29-,30?,31?,32+/m0/s1 |
| InChI Key | LCEXEEHGNKGJES-JLZVVTAUSA-N |
| MDL Number | MFCD07374298 |
| Molecular Formula | C32H61NO8 |
| Molecular Weight | 587.8286 |
| SMILES | O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC[C@H](NC(CCCCCCC)=O)[C@H](O)/C=C/CCCCCCCCCCCCC)[C@@H]1O |
| Synonyms | 41613-16-5,
C8 beta-D-galactosyl ceramide,
DTXSID70677046,
C8 Galactosyl(beta) Ceramide (d18:1/8:0),
N-(octanoyl)-1-beta-galactosyl-sphing-4-enine,
D-galactosyl-beta-1,1' N-octanoyl-D-erythro-sphingosine,
N-{(2S,3R,4E)-1-[(alpha-L-glycero-Hexopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}octanamide,
|
| Complexity | 664 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 587.44g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 587.839g/mol |
| Monoisotopic Mass | 587.44g/mol |
| Rotatable Bond Count | 25 |
| Topological Polar Surface Area | 149A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number