69617-74-9,Calcium-D-galactonate hydrate,
Cas:69617-74-9
MFCD00150918
C12H22CaO14·5H2O / 520.45
D-半乳糖酸钙,
Calcium-D-galactonate hydrate is a reagent that is used in organic synthesis as a complex compound. It can also be used as an intermediate for the synthesis of calcium-D-galactonate, which is a useful scaffold for the construction of bioactive molecules. Calcium-D-galactonate hydrate has been shown to have many uses in the pharmaceutical and fine chemical industries. This compound is also an important reactant in research, due to its versatility and usefulness in organic synthesis.
CAS Number | 69617-74-9 |
Product Name | Calcium (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoate pentahydrate |
IUPAC Name | calcium;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoate;pentahydrate |
Molecular Formula | C12H32CaO19 |
Molecular Weight | 520.45 g/mol |
InChI | InChI=1S/2C6H12O7.Ca.5H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;/h2*2-5,7-11H,1H2,(H,12,13);;5*1H2/q;;+2;;;;;/p-2/t2*2-,3+,4+,5-;;;;;;/m11....../s1 |
InChI Key | GBYWVMUWGXQZBD-TYCUOJIBSA-L |
SMILES | C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.O.O.O.O.O.[Ca+2] |
Canonical SMILES | C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.O.O.O.O.O.[Ca+2] |
Isomeric SMILES | C([C@H]([C@@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.O.O.O.O.O.[Ca+2] |
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