2-hydroxybutanedioate;oxozirconium(2+)

C4H4O6Zr — CID 87184139

IUPAC2-hydroxybutanedioate;oxozirconium(2+)
SMILESO=C([O-])CC(O)C(=O)[O-].O=[Zr+2]
InChIInChI=1S/C4H6O5.O.Zr/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;;+2/p-2
InChIKeyIPSQGRAXQAJSFR-UHFFFAOYSA-L
MW239.29 g/mol
LogP-3.88
Rot. Bonds3

About 2-hydroxybutanedioate;oxozirconium(2+)

2-hydroxybutanedioate;oxozirconium(2+) (PubChem CID 87184139) has the molecular formula C4H4O6Zr and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-hydroxybutanedioate;oxozirconium(2+).

Molecular Properties

Compound Name2-hydroxybutanedioate;oxozirconium(2+)
PubChem CID87184139
Molecular FormulaC4H4O6Zr
Molecular Weight239.29 g/mol
Exact Mass237.91
IUPAC Name2-hydroxybutanedioate;oxozirconium(2+)
SMILESO=C([O-])CC(O)C(=O)[O-].O=[Zr+2]
InChIInChI=1S/C4H6O5.O.Zr/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;;+2/p-2
InChIKeyIPSQGRAXQAJSFR-UHFFFAOYSA-L
XLogP-3.88
TPSA117.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-3.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

disilver;2-hydroxybutanedioate
CID 14299093
tris(2-hydroxybutanedioate);bis(yttrium(3+))
CID 173103435
disodium;(2S)-2-hydroxybutanedioate
CID 6097189
tris(2-hydroxybutanedioate);bis(terbium(3+))
CID 173160363
cadmium(2+);2-hydroxybutanedioate
CID 87607349
azanium;sodium;(2S)-2-hydroxybutanedioate
CID 141157633
calcium;hydron;bis(2-hydroxybutanedioate)
CID 165411854
sodium;2-hydroxybutanedioate;dihydrate
CID 22761792
calcium;hydron;bis(2-hydroxybutanedioate);dihydroxide
CID 162394401
disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate
CID 175410241
sodium (3S)-3,4-dihydroxy-4-oxobutanoate
CID 24802275
sodium 3,4-dihydroxy-4-oxobutanoate
CID 23678821

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanedioate;oxozirconium(2+)?
The IUPAC name of 2-hydroxybutanedioate;oxozirconium(2+) (CID 87184139) is 2-hydroxybutanedioate;oxozirconium(2+).
What is the SMILES notation for 2-hydroxybutanedioate;oxozirconium(2+)?
The canonical SMILES for 2-hydroxybutanedioate;oxozirconium(2+) is O=C([O-])CC(O)C(=O)[O-].O=[Zr+2].
What is the InChIKey of 2-hydroxybutanedioate;oxozirconium(2+)?
The InChIKey is IPSQGRAXQAJSFR-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O5.O.Zr/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;;+2/p-2.
What are the key properties of 2-hydroxybutanedioate;oxozirconium(2+)?
2-hydroxybutanedioate;oxozirconium(2+) has a molecular weight of 239.29 g/mol, XLogP of -3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybutanedioate;oxozirconium(2+) is sourced from PubChem (CID 87184139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).