magnesium;bis(2-hydroxypropanoate);hexahydrate

C6H22MgO12 — CID 172783503

IUPACmagnesium;bis(2-hydroxypropanoate);hexahydrate
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].O.O.O.O.O.O.[Mg+2]
InChIInChI=1S/2C3H6O3.Mg.6H2O/c2*1-2(4)3(5)6;;;;;;;/h2*2,4H,1H3,(H,5,6);;6*1H2/q;;+2;;;;;;/p-2
InChIKeyOOQUISHSTUYIQI-UHFFFAOYSA-L
MW310.54 g/mol
LogP-9.09
Rot. Bonds2

About magnesium;bis(2-hydroxypropanoate);hexahydrate

magnesium;bis(2-hydroxypropanoate);hexahydrate (PubChem CID 172783503) has the molecular formula C6H22MgO12 and a molecular weight of 310.54 g/mol. Its IUPAC name is magnesium;bis(2-hydroxypropanoate);hexahydrate.

Molecular Properties

Compound Namemagnesium;bis(2-hydroxypropanoate);hexahydrate
PubChem CID172783503
Molecular FormulaC6H22MgO12
Molecular Weight310.54 g/mol
Exact Mass310.10
IUPAC Namemagnesium;bis(2-hydroxypropanoate);hexahydrate
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].O.O.O.O.O.O.[Mg+2]
InChIInChI=1S/2C3H6O3.Mg.6H2O/c2*1-2(4)3(5)6;;;;;;;/h2*2,4H,1H3,(H,5,6);;6*1H2/q;;+2;;;;;;/p-2
InChIKeyOOQUISHSTUYIQI-UHFFFAOYSA-L
XLogP-9.09
TPSA309.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.54
LogP ≤ 5-9.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

bis(2-hydroxypropanoate);manganese(2+);hydrate
CID 161275678
calcium;2-hydroxypropanoate;trihydrate
CID 23621454
calcium;bis(2-hydroxypropanoate);pentahydrate
CID 12598284
tris(2-hydroxypropanoate);yttrium(3+)
CID 14619044
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
potassium 2-hydroxypropanoate
CID 23671663
silver (2R)-2-hydroxypropanoate
CID 14178856
iodanium 2-hydroxypropanoate
CID 158316585
copper bis(2-hydroxypropanoate)
CID 13145
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
2-hydroxypropanoate;tantalum(5+)
CID 172796362
strontium bis(2-hydroxypropanoate)
CID 91886528

Frequently Asked Questions

What is the IUPAC name of magnesium;bis(2-hydroxypropanoate);hexahydrate?
The IUPAC name of magnesium;bis(2-hydroxypropanoate);hexahydrate (CID 172783503) is magnesium;bis(2-hydroxypropanoate);hexahydrate.
What is the SMILES notation for magnesium;bis(2-hydroxypropanoate);hexahydrate?
The canonical SMILES for magnesium;bis(2-hydroxypropanoate);hexahydrate is CC(O)C(=O)[O-].CC(O)C(=O)[O-].O.O.O.O.O.O.[Mg+2].
What is the InChIKey of magnesium;bis(2-hydroxypropanoate);hexahydrate?
The InChIKey is OOQUISHSTUYIQI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H6O3.Mg.6H2O/c2*1-2(4)3(5)6;;;;;;;/h2*2,4H,1H3,(H,5,6);;6*1H2/q;;+2;;;;;;/p-2.
What are the key properties of magnesium;bis(2-hydroxypropanoate);hexahydrate?
magnesium;bis(2-hydroxypropanoate);hexahydrate has a molecular weight of 310.54 g/mol, XLogP of -9.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis(2-hydroxypropanoate);hexahydrate is sourced from PubChem (CID 172783503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).