CALCIUM D-SACCHARATE TETRAHYDRATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 6AP9J91K4V
EPA CompTox DTXSID70206633

Structure

InChI Key DSLZVSRJTYRBFB-GNSDDBTRSA-N
Smiles O.O.O.O.[Ca++].O[C@@H]([C@@H](O)[C@@H](O)C([O-])=O)[C@H](O)C([O-])=O
InChI
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3-,4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O8
Molecular Weight 210.04
AlogP -3.4
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 155.52
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 5793-89-5
NORMAN SUSDAT
FDA SRS 6AP9J91K4V
CONTENTS