CALCIUM (S)-2-HYDROXYPROPIONATE

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Keyword(s): Drinking Water Chemicals
Molecule Category Salt-form
UNII 3JG4NR51H7
EPA CompTox DTXSID80892243

Structure

InChI Key MKJXYGKVIBWPFZ-CEOVSRFSSA-L
Smiles [Ca+2].C[C@H](O)C(=O)[O-].C[C@H](O)C(=O)[O-]
InChI
InChI=1/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10CaO6
Molecular Weight 218.01
AlogP -4.15
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 120.72
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 28305-25-1
NORMAN SUSDAT
FDA SRS 3JG4NR51H7
CONTENTS