bis(2-hydroxypropanoate);manganese(2+);hydrate

C6H12MnO7 — CID 161275678

IUPACbis(2-hydroxypropanoate);manganese(2+);hydrate
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].O.[Mn+2]
InChIInChI=1S/2C3H6O3.Mn.H2O/c2*1-2(4)3(5)6;;/h2*2,4H,1H3,(H,5,6);;1H2/q;;+2;/p-2
InChIKeyVEKIOANTWLVRKC-UHFFFAOYSA-L
MW251.09 g/mol
LogP-4.59
Rot. Bonds2

About bis(2-hydroxypropanoate);manganese(2+);hydrate

bis(2-hydroxypropanoate);manganese(2+);hydrate (PubChem CID 161275678) has the molecular formula C6H12MnO7 and a molecular weight of 251.09 g/mol. Its IUPAC name is bis(2-hydroxypropanoate);manganese(2+);hydrate.

Molecular Properties

Compound Namebis(2-hydroxypropanoate);manganese(2+);hydrate
PubChem CID161275678
Molecular FormulaC6H12MnO7
Molecular Weight251.09 g/mol
Exact Mass251.00
IUPAC Namebis(2-hydroxypropanoate);manganese(2+);hydrate
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].O.[Mn+2]
InChIInChI=1S/2C3H6O3.Mn.H2O/c2*1-2(4)3(5)6;;/h2*2,4H,1H3,(H,5,6);;1H2/q;;+2;/p-2
InChIKeyVEKIOANTWLVRKC-UHFFFAOYSA-L
XLogP-4.59
TPSA152.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 5-4.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

azanium;tris(2-hydroxypropanoate);manganese(2+)
CID 158994016
magnesium;bis(2-hydroxypropanoate);hexahydrate
CID 172783503
calcium;2-hydroxypropanoate;trihydrate
CID 23621454
calcium;bis(2-hydroxypropanoate);pentahydrate
CID 12598284
tris(2-hydroxypropanoate);yttrium(3+)
CID 14619044
copper bis(2-hydroxypropanoate)
CID 13145
iodanium 2-hydroxypropanoate
CID 158316585
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
2-hydroxypropanoate;tantalum(5+)
CID 172796362
strontium bis(2-hydroxypropanoate)
CID 91886528
bis(2-hydroxypropanoate);nickel(2+)
CID 15920056

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxypropanoate);manganese(2+);hydrate?
The IUPAC name of bis(2-hydroxypropanoate);manganese(2+);hydrate (CID 161275678) is bis(2-hydroxypropanoate);manganese(2+);hydrate.
What is the SMILES notation for bis(2-hydroxypropanoate);manganese(2+);hydrate?
The canonical SMILES for bis(2-hydroxypropanoate);manganese(2+);hydrate is CC(O)C(=O)[O-].CC(O)C(=O)[O-].O.[Mn+2].
What is the InChIKey of bis(2-hydroxypropanoate);manganese(2+);hydrate?
The InChIKey is VEKIOANTWLVRKC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H6O3.Mn.H2O/c2*1-2(4)3(5)6;;/h2*2,4H,1H3,(H,5,6);;1H2/q;;+2;/p-2.
What are the key properties of bis(2-hydroxypropanoate);manganese(2+);hydrate?
bis(2-hydroxypropanoate);manganese(2+);hydrate has a molecular weight of 251.09 g/mol, XLogP of -4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxypropanoate);manganese(2+);hydrate is sourced from PubChem (CID 161275678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).