zinc;boric acid;sulfate;hydrate

H5BO8SZn — CID 175982549

IUPACzinc;boric acid;sulfate;hydrate
SMILESO.O=S(=O)([O-])[O-].OB(O)O.[Zn+2]
InChIInChI=1S/BH3O3.H2O4S.H2O.Zn/c2-1(3)4;1-5(2,3)4;;/h2-4H;(H2,1,2,3,4);1H2;/q;;;+2/p-2
InChIKeyBKQWYHSUAQWICP-UHFFFAOYSA-L
MW241.30 g/mol
LogP-4.22
Rot. Bonds

About zinc;boric acid;sulfate;hydrate

zinc;boric acid;sulfate;hydrate (PubChem CID 175982549) has the molecular formula H5BO8SZn and a molecular weight of 241.30 g/mol. Its IUPAC name is zinc;boric acid;sulfate;hydrate.

Molecular Properties

Compound Namezinc;boric acid;sulfate;hydrate
PubChem CID175982549
Molecular FormulaH5BO8SZn
Molecular Weight241.30 g/mol
Exact Mass239.91
IUPAC Namezinc;boric acid;sulfate;hydrate
SMILESO.O=S(=O)([O-])[O-].OB(O)O.[Zn+2]
InChIInChI=1S/BH3O3.H2O4S.H2O.Zn/c2-1(3)4;1-5(2,3)4;;/h2-4H;(H2,1,2,3,4);1H2;/q;;;+2/p-2
InChIKeyBKQWYHSUAQWICP-UHFFFAOYSA-L
XLogP-4.22
TPSA172.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 5-4.22
H-Bond Donors ≤ 53
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

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boric acid;dichloronickel;bis(nickel(2+));disulfate
CID 158265484
CID 57377209
CID 57377209
sulfate trihydrate
CID 22613957
silver;zinc;sulfate
CID 157447446
zinc;oxalonitrile;sulfate
CID 174840626
sulfuric acid;sulfate;heptahydrate
CID 22403493
zinc;sulfuric acid;sulfate
CID 160674423
zinc;methanol;sulfate
CID 87569846
zinc;silane;sulfate
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Frequently Asked Questions

What is the IUPAC name of zinc;boric acid;sulfate;hydrate?
The IUPAC name of zinc;boric acid;sulfate;hydrate (CID 175982549) is zinc;boric acid;sulfate;hydrate.
What is the SMILES notation for zinc;boric acid;sulfate;hydrate?
The canonical SMILES for zinc;boric acid;sulfate;hydrate is O.O=S(=O)([O-])[O-].OB(O)O.[Zn+2].
What is the InChIKey of zinc;boric acid;sulfate;hydrate?
The InChIKey is BKQWYHSUAQWICP-UHFFFAOYSA-L. The full InChI is InChI=1S/BH3O3.H2O4S.H2O.Zn/c2-1(3)4;1-5(2,3)4;;/h2-4H;(H2,1,2,3,4);1H2;/q;;;+2/p-2.
What are the key properties of zinc;boric acid;sulfate;hydrate?
zinc;boric acid;sulfate;hydrate has a molecular weight of 241.30 g/mol, XLogP of -4.22, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;boric acid;sulfate;hydrate is sourced from PubChem (CID 175982549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).