| CAS Number | 5447-60-9 |
| Catalog Number | AG00DA35(AGN-PC-0SHEVS) |
| Chemical Name | 5-Keto-D-gluconic acid potassium salt |
| IUPAC Name | potassium;(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoate |
| InChI | InChI=1S/C6H10O7.K/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-5,7,9-11H,1H2,(H,12,13);/q;+1/p-1/t3-,4+,5-;/m1./s1 |
| InChI Key | GSFHMOMWXNDPMM-YMDUGQBDSA-M |
| MDL Number | MFCD00069562 |
| Molecular Formula | C6H9KO7 |
| Molecular Weight | 232.2298 |
| SMILES | OCC(=O)[C@H]([C@@H]([C@H](C(=O)[O-])O)O)O.[K+] |
| Synonyms | 5-Keto-D-gluconic acid potassium salt,
5447-60-9,
91446-96-7,
Potassium 5-ketogluconate,
C6H9O7.K,
DTXSID20635732,
Potassium D-xylo-hex-5-ulosonate,
5871AH,
MFCD00069562,
5-Keto-D-gluconic acid, potassium salt,
D-Xylo-5-hexulofuranosonic acid potassium salt,
5-Keto-D-gluconic acid potassium salt, >=98.0%,
W-204061,
5-KETO-D-GLUCONICACIDPOTASSIUMSALT,
K-2040,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.229g/mol |
| Monoisotopic Mass | 231.999g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 138A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number