MAGNESIUM DI(D-GLYCERO-D-GULO-HEPTONATE)

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

Structure

InChI Key MMSNUIOBUPTENW-XBQZYUPDSA-L
Smiles [Mg+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-]
InChI
InChI=1/2C7H14O8.Mg/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H26MgO16
Molecular Weight 474.11
AlogP -11.31
Hydrogen Bond Acceptor 16.0
Hydrogen Bond Donor 12.0
Number of Rotational Bond 12.0
Polar Surface Area 323.02
Heavy Atoms 31.0

Cross References

Resources Reference
CAS NUMBER 74347-32-3
NORMAN SUSDAT
CONTENTS