| CAS Number | 1391068-16-8 |
| Catalog Number | AG009ENK(AGN-PC-0WBN1E) |
| Chemical Name | (2R)-Octyl-α-hydroxyglutarate (sodium) |
| IUPAC Name | sodium;(4R)-4-hydroxy-5-octoxy-5-oxopentanoate |
| InChI | InChI=1S/C13H24O5.Na/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);/q;+1/p-1/t11-;/m1./s1 |
| InChI Key | UZUHAPHNUWGBFM-RFVHGSKJSA-M |
| MDL Number | MFCD28139001 |
| Molecular Formula | C13H23NaO5 |
| Molecular Weight | 282.3085 |
| SMILES | C(OCCCCCCCC)(=O)[C@H](O)CCC(O[Na])=O |
| Synonyms | Octyl-D-2-HG Sodium,
(R)-2-Hydroxyglutaric Acid Octyl Ester Sodium Salt,
Octyl D-2-Hydroxyglutarate Sodium Salt,
1391068-16-8,
D-2-Hydroxyglutaric Acid Octyl Ester Sodium Salt,
(2R)-2-Hydroxyglutaric Acid Octyl Ester Sodium Salt,
(R)-|A-Hydroxyglutaric Acid Octyl Ester Sodium Salt,
(2R)-2-Hydroxypentanedioic Acid Octyl Ester Sodium Salt,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.312g/mol |
| Monoisotopic Mass | 282.144g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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