zinc;2-hydroxypropanoate;sulfate

C3H5O7SZn- — CID 86732976

IUPACzinc;2-hydroxypropanoate;sulfate
SMILESCC(O)C(=O)[O-].O=S(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/C3H6O3.H2O4S.Zn/c1-2(4)3(5)6;1-5(2,3)4;/h2,4H,1H3,(H,5,6);(H2,1,2,3,4);/q;;+2/p-3
InChIKeyVCXJRYJJHXEEMJ-UHFFFAOYSA-K
MW250.52 g/mol
LogP-3.22
Rot. Bonds1

About zinc;2-hydroxypropanoate;sulfate

zinc;2-hydroxypropanoate;sulfate (PubChem CID 86732976) has the molecular formula C3H5O7SZn- and a molecular weight of 250.52 g/mol. Its IUPAC name is zinc;2-hydroxypropanoate;sulfate.

Molecular Properties

Compound Namezinc;2-hydroxypropanoate;sulfate
PubChem CID86732976
Molecular FormulaC3H5O7SZn-
Molecular Weight250.52 g/mol
Exact Mass248.91
IUPAC Namezinc;2-hydroxypropanoate;sulfate
SMILESCC(O)C(=O)[O-].O=S(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/C3H6O3.H2O4S.Zn/c1-2(4)3(5)6;1-5(2,3)4;/h2,4H,1H3,(H,5,6);(H2,1,2,3,4);/q;;+2/p-3
InChIKeyVCXJRYJJHXEEMJ-UHFFFAOYSA-K
XLogP-3.22
TPSA140.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.52
LogP ≤ 5-3.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

silver (2R)-2-hydroxypropanoate
CID 14178856
potassium;zinc;tris(2-hydroxypropanoate)
CID 86746346
dipotassium;dizinc;hexakis(2-hydroxypropanoate)
CID 160618147
bis(2-hydroxypropanoate);iron(2+);sulfuric acid
CID 174947898
strontium bis(2-hydroxypropanoate)
CID 91886528
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
potassium 2-hydroxypropanoate
CID 23671663
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
copper bis(2-hydroxypropanoate)
CID 13145
iodanium 2-hydroxypropanoate
CID 158316585
bis(2-hydroxypropanoate);nickel(2+)
CID 15920056
2-hydroxypropanoate;tantalum(5+)
CID 172796362

Frequently Asked Questions

What is the IUPAC name of zinc;2-hydroxypropanoate;sulfate?
The IUPAC name of zinc;2-hydroxypropanoate;sulfate (CID 86732976) is zinc;2-hydroxypropanoate;sulfate.
What is the SMILES notation for zinc;2-hydroxypropanoate;sulfate?
The canonical SMILES for zinc;2-hydroxypropanoate;sulfate is CC(O)C(=O)[O-].O=S(=O)([O-])[O-].[Zn+2].
What is the InChIKey of zinc;2-hydroxypropanoate;sulfate?
The InChIKey is VCXJRYJJHXEEMJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H6O3.H2O4S.Zn/c1-2(4)3(5)6;1-5(2,3)4;/h2,4H,1H3,(H,5,6);(H2,1,2,3,4);/q;;+2/p-3.
What are the key properties of zinc;2-hydroxypropanoate;sulfate?
zinc;2-hydroxypropanoate;sulfate has a molecular weight of 250.52 g/mol, XLogP of -3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-hydroxypropanoate;sulfate is sourced from PubChem (CID 86732976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).