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Magnesium (2R,3S)-2,3,4-trihydroxybutanoate

Catalog Number ACM778571576
CAS 778571-57-6
Structure Magnesium (2R,3S)-2,3,4-trihydroxybutanoate
Synonyms Magnesium;(2R,3S)-2,3,4-trihydroxybutanoate
Molecular Weight 294.5
Molecular Formula C8H14MgO10
Canonical SMILES C(C(C(C(=O)[O-])O)O)O.C(C(C(C(=O)[O-])O)O)O.[Mg+2]
InChI InChI=1S/2C4H8O5.Mg/c2*5-1-2(6)3(7)4(8)9;/h2*2-3,5-7H,1H2,(H,8,9);/q;+2/p-2/t2*2-,3+;/m00./s1
InChI Key YVJOHOWNFPQSPP-BALCVSAKSA-L
Purity 95%+
Exact Mass 294.0437383
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 6
Isomeric SMILES C([C@@H]([C@H](C(=O)[O-])O)O)O.C([C@@H]([C@H](C(=O)[O-])O)O)O.[Mg+2]
Monoisotopic Mass 294.0437383
Rotatable Bond Count 4
Topological Polar Surface Area 202 Ų

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