| CAS Number | 26787-56-4 |
| Catalog Number | AG00C2FG(AGN-PC-0WBMRB) |
| Chemical Name | rac-1,3-Distearoyl-2-chloropropanediol |
| IUPAC Name | (2-chloro-3-octadecanoyloxypropyl) octadecanoate |
| InChI | InChI=1S/C39H75ClO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3 |
| InChI Key | PYMWUYDMRZYIBN-UHFFFAOYSA-N |
| Molecular Formula | C39H75ClO4 |
| Molecular Weight | 643.4634 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(Cl)COC(=O)CCCCCCCCCCCCCCCCC |
| Synonyms | 2-Chloropropane-1,3-diyl distearate,
26787-56-4,
FT-0667718,
rac-1,3-Distearoyl-2-chloropropanediol,
rac-1,2-Distearoyl-3-chloropropanediol-d5,
(2-Chloro-3-octadecanoyloxypropyl) octadecanoate,
|
| Complexity | 547 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 642.535g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 643.475g/mol |
| Monoisotopic Mass | 642.535g/mol |
| Rotatable Bond Count | 38 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 17.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number