cadmium(2+);2-hydroxybutanedioate

C4H4CdO5 — CID 87607349

IUPACcadmium(2+);2-hydroxybutanedioate
SMILESO=C([O-])CC(O)C(=O)[O-].[Cd+2]
InChIInChI=1S/C4H6O5.Cd/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+2/p-2
InChIKeyJEOYJRCIDQRRNG-UHFFFAOYSA-L
MW244.48 g/mol
LogP-3.77
Rot. Bonds3

About cadmium(2+);2-hydroxybutanedioate

cadmium(2+);2-hydroxybutanedioate (PubChem CID 87607349) has the molecular formula C4H4CdO5 and a molecular weight of 244.48 g/mol. Its IUPAC name is cadmium(2+);2-hydroxybutanedioate.

Molecular Properties

Compound Namecadmium(2+);2-hydroxybutanedioate
PubChem CID87607349
Molecular FormulaC4H4CdO5
Molecular Weight244.48 g/mol
Exact Mass245.91
IUPAC Namecadmium(2+);2-hydroxybutanedioate
SMILESO=C([O-])CC(O)C(=O)[O-].[Cd+2]
InChIInChI=1S/C4H6O5.Cd/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);/q;+2/p-2
InChIKeyJEOYJRCIDQRRNG-UHFFFAOYSA-L
XLogP-3.77
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.48
LogP ≤ 5-3.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
azanium;sodium;(2S)-2-hydroxybutanedioate
CID 141157633
2-hydroxybutanedioate;oxozirconium(2+)
CID 87184139
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 cadmium(2+);2-hydroxybutanedioate?
The IUPAC name of cadmium(2+);2-hydroxybutanedioate (CID 87607349) is cadmium(2+);2-hydroxybutanedioate.
What is the SMILES notation for cadmium(2+);2-hydroxybutanedioate?
The canonical SMILES for cadmium(2+);2-hydroxybutanedioate is O=C([O-])CC(O)C(=O)[O-].[Cd+2].
What is the InChIKey of cadmium(2+);2-hydroxybutanedioate?
The InChIKey is JEOYJRCIDQRRNG-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O5.Cd/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 cadmium(2+);2-hydroxybutanedioate?
cadmium(2+);2-hydroxybutanedioate has a molecular weight of 244.48 g/mol, XLogP of -3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);2-hydroxybutanedioate is sourced from PubChem (CID 87607349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).