| CAS Number | 215528-91-9 |
| Catalog Number | AG01EQ4L(AGN-PC-3H475L) |
| Chemical Name | C18 ((±)-2'-hydroxy) dihydro Ceramide (d18:0/18:0) |
| IUPAC Name | N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-2-hydroxyoctadecanamide |
| InChI | InChI=1S/C36H73NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(40)36(41)37-33(32-38)34(39)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,38-40H,3-32H2,1-2H3,(H,37,41)/t33-,34+,35?/m0/s1 |
| InChI Key | TWVUZTCVZAHCIE-GWDKEWMYSA-N |
| Molecular Formula | C36H73NO4 |
| Molecular Weight | 583.9691 |
| SMILES | OC[C@H](NC(C(O)CCCCCCCCCCCCCCCC)=O)[C@H](O)CCCCCCCCCCCCCCC |
| Synonyms | N-(2-hydroxyoctadecanoyl)-sphinganine,
Cer(d18:0/18:0(2OH)),
SCHEMBL5181321,
CHEBI:67034,
N-(2-hydroxyoctadecanoyl)sphinganine,
LMSP02020030,
N-(2-hydroxyoctadecanoyl)dihydroceramide,
DHC-B' 18:0/18:0,
N-(2-hydroxyoctadecanoyl)dihydrosphingosine,
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-2-hydroxyoctadecanamide,
2-hydroxy-N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-octadecanamide,
215528-91-9,
Cer(t36:0),
|
| Complexity | 530 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 583.554g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 583.983g/mol |
| Monoisotopic Mass | 583.554g/mol |
| Rotatable Bond Count | 33 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 13.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number