CAS | 110638-68-1 |
Structure | |
Synonyms | 4-O-β-D-Galactopyranosyl-D-gluconic acid monohydrate hemicalcium salt |
IUPAC Name | Calcium;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate;dihydrate |
Molecular Weight | 754.65 |
Molecular Formula | C24H42CaO24 |
Canonical SMILES | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O.O.O.[Ca+2] |
InChI | InChI=1S/2C12H22O12.Ca.2H2O/c2*13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;;;/h2*3-10,12-20H,1-2H2,(H,21,22);;2*1H2/q;;+2;;/p-2/t2*3-,4-,5+,6+,7-,8-,9-,10-,12+;;;/m11.../s1 |
InChI Key | FALNADDKNDADFQ-WNSOHMSISA-L |
Melting Point | 190 °C |
Purity | 98% |
Appearance | Solid |
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