| CAS Number | 1481636-41-2 |
| Catalog Number | AG01E284(AGN-PC-0WP0FK) |
| Chemical Name | 5-PAHSA |
| IUPAC Name | 5-hexadecanoyloxyoctadecanoic acid |
| InChI | InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31-34(37)38-32(29-27-30-33(35)36)28-25-23-21-19-17-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H,35,36) |
| InChI Key | QBGKCWKQYJQHJX-UHFFFAOYSA-N |
| MDL Number | MFCD29905055 |
| Molecular Formula | C34H66O4 |
| Molecular Weight | 538.8854 |
| SMILES | OC(CCCC(OC(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCC)=O |
| Synonyms | 5-PAHSA,
5-palmitic acid hydroxy stearic acid,
5-PAHSA,
FAHFA(16:0/5-O-18:0),
1481636-41-2,
5-hexadecanoyloxy-octadecanoic acid,
5-Palmitoyloxystearic acid,
5-(palmitoyloxy)stearic acid,
SCHEMBL16063632,
CHEBI:84457,
5-(palmitoyloxy)octadecanoic acid,
palmitic acid-5-hydroxystearic acid,
5-(hexadecanoyloxy)octadecanoic acid,
LMFA07011034,
5-PAHSA, 5-(palmitoyloxy)octadecanoic acid, chloroform,
FAHFA(O-34:0),
|
| Complexity | 505 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 538.496g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 538.898g/mol |
| Monoisotopic Mass | 538.496g/mol |
| Rotatable Bond Count | 32 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 14.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number