D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1)
calcium bis((3S,4S)-3,4,6-trihydroxy-2,5-dioxohexanoate)
Also Known As: 2,5-Diketogluconate|Calcium 2,5-diketogluconic acid|2,5-Dioxo-D-gluconate|2,5-diketo-D-gluconate|EINECS 246-542-3|C6H8O7.1/2Ca|C6-H8-O7.1/2Ca|D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1)|Calcium bis(hydrogen D-threo-hexo-2,5-diulosonate)|D-threo-2,5-Hexodiulosonic acid, calcium salt|D-threo-2,5-Hexodiulosonicacid, calcium salt (2:1)|calcium (3S,4S)-3,4,6-trihydroxy-2,5-dioxohexanoate|calcium bis[(3s,4s)-3,4,6-trihydroxy-2,5-dioxohexanoate](non-preferred name)
| Molecular Formula | C12H14CaO14 |
|---|---|
| Molecular Weight | 422.00095 g/mol |
| LogP | -9.2 |
| Topological Polar Surface Area | 269.92 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 422.00095 |
| Heavy Atoms | 27 |
| Complexity | 522.4 |
Chemical Identifiers
| CAS Number | 24940-63-4 |
|---|---|
| SMILES | C(C(=O)[C@H]([C@@H](C(=O)C(=O)[O-])O)O)O.C(C(=O)[C@H]([C@@H](C(=O)C(=O)[O-])O)O)O.[Ca+2] |
Product Overview
D-threo-2,5-Hexodiulosonic acid, calcium salt (2:1) (CAS 24940-63-4), with molecular formula C12H14CaO14 and molecular weight 422.00095 g/mol. IUPAC: calcium bis((3S,4S)-3,4,6-trihydroxy-2,5-dioxohexanoate).
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