zinc;methanol;sulfate;heptahydrate

CH18O12SZn — CID 175143142

IUPACzinc;methanol;sulfate;heptahydrate
SMILESCO.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/CH4O.H2O4S.7H2O.Zn/c1-2;1-5(2,3)4;;;;;;;;/h2H,1H3;(H2,1,2,3,4);7*1H2;/q;;;;;;;;;+2/p-2
InChIKeyXUVAXUTZKDJYPR-UHFFFAOYSA-L
MW319.60 g/mol
LogP-7.50
Rot. Bonds

About zinc;methanol;sulfate;heptahydrate

zinc;methanol;sulfate;heptahydrate (PubChem CID 175143142) has the molecular formula CH18O12SZn and a molecular weight of 319.60 g/mol. Its IUPAC name is zinc;methanol;sulfate;heptahydrate.

Molecular Properties

Compound Namezinc;methanol;sulfate;heptahydrate
PubChem CID175143142
Molecular FormulaCH18O12SZn
Molecular Weight319.60 g/mol
Exact Mass317.98
IUPAC Namezinc;methanol;sulfate;heptahydrate
SMILESCO.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/CH4O.H2O4S.7H2O.Zn/c1-2;1-5(2,3)4;;;;;;;;/h2H,1H3;(H2,1,2,3,4);7*1H2;/q;;;;;;;;;+2/p-2
InChIKeyXUVAXUTZKDJYPR-UHFFFAOYSA-L
XLogP-7.50
TPSA320.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.60
LogP ≤ 5-7.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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CID 87569846
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CID 22613957
silver;zinc;sulfate
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zinc;boric acid;sulfate;hydrate
CID 175982549
zinc;boric acid;sulfate;heptahydrate
CID 159142256
zinc;oxalonitrile;sulfate
CID 174840626
sulfuric acid;sulfate;heptahydrate
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bis(tetramethylphosphanium);sulfate
CID 87132356
zinc;sulfuric acid;sulfate
CID 160674423
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Frequently Asked Questions

What is the IUPAC name of zinc;methanol;sulfate;heptahydrate?
The IUPAC name of zinc;methanol;sulfate;heptahydrate (CID 175143142) is zinc;methanol;sulfate;heptahydrate.
What is the SMILES notation for zinc;methanol;sulfate;heptahydrate?
The canonical SMILES for zinc;methanol;sulfate;heptahydrate is CO.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].[Zn+2].
What is the InChIKey of zinc;methanol;sulfate;heptahydrate?
The InChIKey is XUVAXUTZKDJYPR-UHFFFAOYSA-L. The full InChI is InChI=1S/CH4O.H2O4S.7H2O.Zn/c1-2;1-5(2,3)4;;;;;;;;/h2H,1H3;(H2,1,2,3,4);7*1H2;/q;;;;;;;;;+2/p-2.
What are the key properties of zinc;methanol;sulfate;heptahydrate?
zinc;methanol;sulfate;heptahydrate has a molecular weight of 319.60 g/mol, XLogP of -7.50, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;methanol;sulfate;heptahydrate is sourced from PubChem (CID 175143142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).