ZINC ASCORBATE MONOHYDRATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key PJBQWWHYTVYMLO-LZUUPNLKSA-N
Smiles [Zn+2].O.OC=1C(=O)O[C@H]([C@@H](O)C[O-])C=1O.[O-]C[C@H](O)[C@H]1OC(=O)C(O)=C1O;[K+].OC[C@H](O)[C@H]1OC(=O)[C-](O)C1=O;[Mg++].OC[C@H](O)[C@H]1OC(=O)[C-](O)C1=O.OC[C@H](O)[C@H]2OC(=O)[C-](O)C2=O;[Mn+2].OC=1C(=O)O[C@H]([C@@H](O)C[O-])C=1O.[O-]C[C@H](O)[C@H]1OC(=O)C(O)=C1O;O.O.[Ca++].OC[C@H](O)[C@H]1OC(=O)[C-](O)C1=O.OC[C@H](O)[C@H]2OC(=O)[C-](O)C2=O
InChI
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,4-5,7-8,10H,1H2/t2-,4?,5+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8O6
Molecular Weight 176.03
AlogP -2.81
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 104.06
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 151728-40-4
NORMAN SUSDAT
CONTENTS