| CAS Number | 890041-50-6 |
| Catalog Number | AG01EPSO(AGN-PC-3H4730) |
| Chemical Name | (2S)-2-hydroxy-N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-hexadecanamide |
| IUPAC Name | (2S)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxyhexadecanamide |
| InChI | InChI=1S/C34H67NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(37)31(30-36)35-34(39)33(38)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,31-33,36-38H,3-25,27,29-30H2,1-2H3,(H,35,39)/b28-26+/t31-,32+,33-/m0/s1 |
| InChI Key | YWZGQPJRQXHVQX-UMKNRRHWSA-N |
| MDL Number | MFCD22416672 |
| Molecular Formula | C34H67NO4 |
| Molecular Weight | 553.9001 |
| SMILES | OC[C@H](NC([C@@H](O)CCCCCCCCCCCCCC)=O)[C@H](O)/C=C/CCCCCCCCCCCCC |
| Synonyms | 16:0(2S-OH) Ceramide, N-(2'-(S)-hydroxypalmitoyl)-D-erythro-sphingosine, powder,
(2S)-2-hydroxy-N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-hexadecanamide,
890041-50-6,
|
| Complexity | 539 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 553.507g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 553.913g/mol |
| Monoisotopic Mass | 553.507g/mol |
| Rotatable Bond Count | 30 |
| Topological Polar Surface Area | 89.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 12.1 |
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Certificate of Analysis
Lot Number