dizinc;oxalate;sulfate

C2O8SZn2 — CID 21482692

IUPACdizinc;oxalate;sulfate
SMILESO=C([O-])C(=O)[O-].O=S(=O)([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/C2H2O4.H2O4S.2Zn/c3-1(4)2(5)6;1-5(2,3)4;;/h(H,3,4)(H,5,6);(H2,1,2,3,4);;/q;;2*+2/p-4
InChIKeyIXZKEQDTSVUGCV-UHFFFAOYSA-J
MW314.86 g/mol
LogP-4.86
Rot. Bonds

About dizinc;oxalate;sulfate

dizinc;oxalate;sulfate (PubChem CID 21482692) has the molecular formula C2O8SZn2 and a molecular weight of 314.86 g/mol. Its IUPAC name is dizinc;oxalate;sulfate.

Molecular Properties

Compound Namedizinc;oxalate;sulfate
PubChem CID21482692
Molecular FormulaC2O8SZn2
Molecular Weight314.86 g/mol
Exact Mass311.79
IUPAC Namedizinc;oxalate;sulfate
SMILESO=C([O-])C(=O)[O-].O=S(=O)([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/C2H2O4.H2O4S.2Zn/c3-1(4)2(5)6;1-5(2,3)4;;/h(H,3,4)(H,5,6);(H2,1,2,3,4);;/q;;2*+2/p-4
InChIKeyIXZKEQDTSVUGCV-UHFFFAOYSA-J
XLogP-4.86
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 5-4.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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

strontium;zinc;carbonate;sulfate
CID 168986358
dipotassium;zinc;oxalate
CID 173075091
aluminum;lithium;carbonate;sulfate
CID 159509946
lithium;hydron;oxalate
CID 22141737
zinc;oxalate;hexahydrate
CID 175037581
dilithium;oxalate;titanium(4+)
CID 173348725
dizinc;oxalate;hydrate
CID 175884048
calcium;zinc;oxalate
CID 174638991
zinc;oxalate;dihydrate
CID 516787
tetralithium;methane;oxalate
CID 174903664
silver;nickel(2+);oxalate
CID 159248899
silver;zinc;sulfate
CID 157447446

Frequently Asked Questions

What is the IUPAC name of dizinc;oxalate;sulfate?
The IUPAC name of dizinc;oxalate;sulfate (CID 21482692) is dizinc;oxalate;sulfate.
What is the SMILES notation for dizinc;oxalate;sulfate?
The canonical SMILES for dizinc;oxalate;sulfate is O=C([O-])C(=O)[O-].O=S(=O)([O-])[O-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc;oxalate;sulfate?
The InChIKey is IXZKEQDTSVUGCV-UHFFFAOYSA-J. The full InChI is InChI=1S/C2H2O4.H2O4S.2Zn/c3-1(4)2(5)6;1-5(2,3)4;;/h(H,3,4)(H,5,6);(H2,1,2,3,4);;/q;;2*+2/p-4.
What are the key properties of dizinc;oxalate;sulfate?
dizinc;oxalate;sulfate has a molecular weight of 314.86 g/mol, XLogP of -4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;oxalate;sulfate is sourced from PubChem (CID 21482692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).