| CAS Number | 202467-76-3 |
| Catalog Number | AG00288M(AGN-PC-0O77IX) |
| Chemical Name | C4 Dihydroceramide |
| IUPAC Name | N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]butanamide |
| InChI | InChI=1S/C22H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(25)20(19-24)23-22(26)17-4-2/h20-21,24-25H,3-19H2,1-2H3,(H,23,26)/t20-,21+/m0/s1 |
| InChI Key | OQNWHOCKDMLTSP-LEWJYISDSA-N |
| MDL Number | MFCD02094231 |
| Molecular Formula | C22H45NO3 |
| Molecular Weight | 371.5976 |
| SMILES | CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCC |
| Synonyms | C4 Dihydroceramide,
202467-76-3,
N-[(2S,3R)-1,3-Dihydroxyoctadecan-2-yl]butanamide,
N-Butylsphinganine,
SCHEMBL6239732,
CTK8E7789,
DTXSID90661861,
ZINC72399568,
AKOS030241207,
RT-011882,
FT-0664468,
J-013146,
N-[(1S,2R)-2-Hydroxy-1-(hydroxymethyl)heptadecyl]butanamide,
Butanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-,
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| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.34g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.606g/mol |
| Monoisotopic Mass | 371.34g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number