| CAS Number | 67492-17-5 |
| Catalog Number | AG01EQ14(AGN-PC-0TOIJ8) |
| Chemical Name | C19 Ceramide (d18:1/19:0) |
| IUPAC Name | N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]nonadecanamide |
| InChI | InChI=1S/C37H73NO3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-37(41)38-35(34-39)36(40)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h30,32,35-36,39-40H,3-29,31,33-34H2,1-2H3,(H,38,41)/b32-30+/t35-,36+/m0/s1 |
| InChI Key | SNMLDULQFHAZRC-RQDJVNCUSA-N |
| Molecular Formula | C37H73NO3 |
| Molecular Weight | 579.9804 |
| SMILES | OC[C@@H]([C@H](O)/C=C/CCCCCCCCCCCCC)NC(CCCCCCCCCCCCCCCCCC)=O |
| Synonyms | N-(nonadecanoyl)-sphing-4-enine,
Cer(d18:1/19:0),
N-Nonadecanoylsphingosine,
CHEBI:142377,
LMSP02010032,
ZINC72400169,
N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-nonadecanamide,
67492-17-5,
Cer(d37:1),
Cer 37:1,
|
| Complexity | 550 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 579.559g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 579.995g/mol |
| Monoisotopic Mass | 579.559g/mol |
| Rotatable Bond Count | 33 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 14.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number