tris(2-hydroxypropanoate);zirconium(3+)

C9H15O9Zr — CID 3048680

IUPACtris(2-hydroxypropanoate);zirconium(3+)
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Zr+3]
InChIInChI=1S/3C3H6O3.Zr/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);/q;;;+3/p-3
InChIKeyRVAOABFCVMSQPB-UHFFFAOYSA-K
MW358.43 g/mol
LogP-5.65
Rot. Bonds3

About tris(2-hydroxypropanoate);zirconium(3+)

tris(2-hydroxypropanoate);zirconium(3+) (PubChem CID 3048680) has the molecular formula C9H15O9Zr and a molecular weight of 358.43 g/mol. Its IUPAC name is tris(2-hydroxypropanoate);zirconium(3+).

Molecular Properties

Compound Nametris(2-hydroxypropanoate);zirconium(3+)
PubChem CID3048680
Molecular FormulaC9H15O9Zr
Molecular Weight358.43 g/mol
Exact Mass356.98
IUPAC Nametris(2-hydroxypropanoate);zirconium(3+)
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Zr+3]
InChIInChI=1S/3C3H6O3.Zr/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);/q;;;+3/p-3
InChIKeyRVAOABFCVMSQPB-UHFFFAOYSA-K
XLogP-5.65
TPSA181.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 5-5.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 13145
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potassium 2-hydroxypropanoate
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silver (2R)-2-hydroxypropanoate
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bis(2-hydroxypropanoate);nickel(2+)
CID 15920056
2-hydroxypropanoate;tantalum(5+)
CID 172796362
strontium bis(2-hydroxypropanoate)
CID 91886528
gold(3+);tris(2-hydroxypropanoate)
CID 157164422
tris(2-hydroxypropanoate);yttrium(3+)
CID 14619044
calcium;bis(2-hydroxypropanoate);pentahydrate
CID 12598284
potassium;zinc;tris(2-hydroxypropanoate)
CID 86746346

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxypropanoate);zirconium(3+)?
The IUPAC name of tris(2-hydroxypropanoate);zirconium(3+) (CID 3048680) is tris(2-hydroxypropanoate);zirconium(3+).
What is the SMILES notation for tris(2-hydroxypropanoate);zirconium(3+)?
The canonical SMILES for tris(2-hydroxypropanoate);zirconium(3+) is CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Zr+3].
What is the InChIKey of tris(2-hydroxypropanoate);zirconium(3+)?
The InChIKey is RVAOABFCVMSQPB-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H6O3.Zr/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);/q;;;+3/p-3.
What are the key properties of tris(2-hydroxypropanoate);zirconium(3+)?
tris(2-hydroxypropanoate);zirconium(3+) has a molecular weight of 358.43 g/mol, XLogP of -5.65, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxypropanoate);zirconium(3+) is sourced from PubChem (CID 3048680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).