| CAS Number | 60979-68-2 |
| Catalog Number | AG00EEQE(AGN-PC-0SY9T8) |
| Chemical Name | sodium (R)-2,4-dihydroxy-3,3-dimethylbutanoate |
| EC Number | 612-057-4 |
| IUPAC Name | sodium;(2R)-2,4-dihydroxy-3,3-dimethylbutanoate |
| InChI | InChI=1S/C6H12O4.Na/c1-6(2,3-7)4(8)5(9)10;/h4,7-8H,3H2,1-2H3,(H,9,10);/q;+1/p-1/t4-;/m0./s1 |
| InChI Key | XTIMSSMEPPKSQD-WCCKRBBISA-M |
| MDL Number | MFCD29079001 |
| Molecular Formula | C6H11NaO4 |
| Molecular Weight | 170.1389 |
| SMILES | O=C([O-])[C@H](O)C(C)(C)CO.[Na+] |
| Synonyms | 60979-68-2,
sodium (2R)-2,4-dihydroxy-3,3-dimethylbutanoate,
sodium pantoate,
(+)-Sodium pantoate,
pantoic acid sodium salt,
SCHEMBL2829744,
XTIMSSMEPPKSQD-WCCKRBBISA-M,
(R)-2,4-Dihydroxy-3,3-dimethylbutyric acid sodium salt,
-2,4-Dihydroxy-3,3-dimethylbutyricacidsodiumsalt,
Sodium;(2R)-2,4-dihydroxy-3,3-dimethylbutanoate,
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| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.14g/mol |
| Monoisotopic Mass | 170.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number