zinc 2-hydroxypropanedioate

C3H2O5Zn — CID 20549630

IUPACzinc 2-hydroxypropanedioate
SMILESO=C([O-])C(O)C(=O)[O-].[Zn+2]
InChIInChI=1S/C3H4O5.Zn/c4-1(2(5)6)3(7)8;/h1,4H,(H,5,6)(H,7,8);/q;+2/p-2
InChIKeyVKFOBSSYOGGCDS-UHFFFAOYSA-L
MW183.43 g/mol
LogP-4.16
Rot. Bonds2

About zinc 2-hydroxypropanedioate

zinc 2-hydroxypropanedioate (PubChem CID 20549630) has the molecular formula C3H2O5Zn and a molecular weight of 183.43 g/mol. Its IUPAC name is zinc 2-hydroxypropanedioate.

Molecular Properties

Compound Namezinc 2-hydroxypropanedioate
PubChem CID20549630
Molecular FormulaC3H2O5Zn
Molecular Weight183.43 g/mol
Exact Mass181.92
IUPAC Namezinc 2-hydroxypropanedioate
SMILESO=C([O-])C(O)C(=O)[O-].[Zn+2]
InChIInChI=1S/C3H4O5.Zn/c4-1(2(5)6)3(7)8;/h1,4H,(H,5,6)(H,7,8);/q;+2/p-2
InChIKeyVKFOBSSYOGGCDS-UHFFFAOYSA-L
XLogP-4.16
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.43
LogP ≤ 5-4.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

lithium 2,3-dihydroxy-3-oxopropanoate
CID 140653273
2,3-dihydroxybutanedioate
CID 19608871
potassium;zinc;tris(2-hydroxypropanoate)
CID 86746346
dipotassium;dizinc;hexakis(2-hydroxypropanoate)
CID 160618147
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
CID 139243453
CID 139243453
2-hydroxypropanoate;tantalum(5+)
CID 172796362
CID 86636910
CID 86636910
strontium bis(2-hydroxypropanoate)
CID 91886528
potassium;2,3-dihydroxybutanedioate;zirconium(2+)
CID 19373860

Frequently Asked Questions

What is the IUPAC name of zinc 2-hydroxypropanedioate?
The IUPAC name of zinc 2-hydroxypropanedioate (CID 20549630) is zinc 2-hydroxypropanedioate.
What is the SMILES notation for zinc 2-hydroxypropanedioate?
The canonical SMILES for zinc 2-hydroxypropanedioate is O=C([O-])C(O)C(=O)[O-].[Zn+2].
What is the InChIKey of zinc 2-hydroxypropanedioate?
The InChIKey is VKFOBSSYOGGCDS-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H4O5.Zn/c4-1(2(5)6)3(7)8;/h1,4H,(H,5,6)(H,7,8);/q;+2/p-2.
What are the key properties of zinc 2-hydroxypropanedioate?
zinc 2-hydroxypropanedioate has a molecular weight of 183.43 g/mol, XLogP of -4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 2-hydroxypropanedioate is sourced from PubChem (CID 20549630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).