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| IUPAC Name: | calcium(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoatehydrate |
| Description: | D- arabino- 2- Hexulosonic Acid Calcium Salt Hydrate is the hydrous analogue of D- arabino- 2- Hexulosonic Acid Calcium Salt (H347030) which is used in manufacture of L-Ascorbic Acid and D-Erythorbic Acid from 2-Keto-gulonic Acid via enzymic lactonization. |
| Molecular Weight: | 2 (194.14) + (40.08) + x(18.02) |
| Molecular Formula: | 2(C6H9O7-)·Ca2+·x(H2O) |
| Canonical SMILES: | C(C(C(C(C(=O)C(=O)[O-])O)O)O)O.C(C(C(C(C(=O)C(=O)[O-])O)O)O)O.O.[Ca+2] |
| InChI: | InChI=1S/2C6H10O7.Ca.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13/h2*2-4,7-10H,1H2,(H,12,13)1H2/q+2/p-2/t2*2-,3-,4+/m11../s1 |
| InChI Key: | LBTJSFDOKRLTMQ-LWDDDOIUSA-L |
| Melting Point: | >300°C |
| Solubility: | Methanol (Very Slightly, Heated), Water (Slightly, Heated, Sonicated) |
| Appearance: | White to Off-White Solid |
| Storage: | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| References: | Asakura, A., et al. Indian Pat. Appl., (2010). |
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