| CAS Number | 1391194-67-4 |
| Catalog Number | AG009BPW(AGN-PC-0WP0JG) |
| Chemical Name | (2R)-2-Hydroxy-pentanedioic acid 1-octyl ester |
| IUPAC Name | (4R)-4-hydroxy-5-octoxy-5-oxopentanoic acid |
| InChI | InChI=1S/C13H24O5/c1-2-3-4-5-6-7-10-18-13(17)11(14)8-9-12(15)16/h11,14H,2-10H2,1H3,(H,15,16)/t11-/m1/s1 |
| InChI Key | UJZOKTKSGUOCCM-LLVKDONJSA-N |
| MDL Number | MFCD30735809 |
| Molecular Formula | C13H24O5 |
| Molecular Weight | 260.3267 |
| SMILES | O=C(OCCCCCCCC)[C@H](O)CCC(O)=O |
| Synonyms | (2R)-Octyl-|A-hydroxyglutarate,
1391194-67-4,
(R)-2-Hydroxy-pentanedioic acid 1-octyl ester,
SCHEMBL18280797,
(2R)-Octyl-alpha-hydroxyglutarate,
ZINC77300481,
CS-7863,
HY-103641,
(2R)-2-Hydroxy-pentanedioic acid 1-octyl ester,
(r)-4-hydroxy-5-(octyloxy)-5-oxopentanoic acid,
(2R)-Octyl-(alpha)-hydroxyglutarate,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.33g/mol |
| Monoisotopic Mass | 260.162g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number