sulfooxyboronic acid;zinc

H3BO6SZn — CID 174977688

IUPACsulfooxyboronic acid;zinc
SMILESO=S(=O)(O)OB(O)O.[Zn]
InChIInChI=1S/BH3O6S.Zn/c2-1(3)7-8(4,5)6;/h2-3H,(H,4,5,6);
InChIKeyGZUXFDCJEIXGRA-UHFFFAOYSA-N
MW207.29 g/mol
LogP-2.23
Rot. Bonds2

About sulfooxyboronic acid;zinc

sulfooxyboronic acid;zinc (PubChem CID 174977688) has the molecular formula H3BO6SZn and a molecular weight of 207.29 g/mol. Its IUPAC name is sulfooxyboronic acid;zinc.

Molecular Properties

Compound Namesulfooxyboronic acid;zinc
PubChem CID174977688
Molecular FormulaH3BO6SZn
Molecular Weight207.29 g/mol
Exact Mass205.90
IUPAC Namesulfooxyboronic acid;zinc
SMILESO=S(=O)(O)OB(O)O.[Zn]
InChIInChI=1S/BH3O6S.Zn/c2-1(3)7-8(4,5)6;/h2-3H,(H,4,5,6);
InChIKeyGZUXFDCJEIXGRA-UHFFFAOYSA-N
XLogP-2.23
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

boronooxysulfonyloxyboronic acid
CID 173147026
methylsulfonyloxyboronic acid
CID 141334223
fluoro hydrogen sulfate;zinc
CID 173138204
sulfuric acid;zinc
CID 173312320
sulfooxy hydrogen sulfate
CID 24413
boric acid;λ2-plumbane;sulfuric acid
CID 175363822
sulfuric acid;zinc;heptahydrate
CID 174726437
sulfuric acid;zinc;trihydrate
CID 173220597
manganese;sulfuric acid;zinc
CID 173308662
sulfuric acid;zinc;hydrate
CID 175689602
sulfooxy hydrogen sulfate;hydrobromide
CID 172791848
boric acid;sulfurothioic O-acid
CID 173453516

Frequently Asked Questions

What is the IUPAC name of sulfooxyboronic acid;zinc?
The IUPAC name of sulfooxyboronic acid;zinc (CID 174977688) is sulfooxyboronic acid;zinc.
What is the SMILES notation for sulfooxyboronic acid;zinc?
The canonical SMILES for sulfooxyboronic acid;zinc is O=S(=O)(O)OB(O)O.[Zn].
What is the InChIKey of sulfooxyboronic acid;zinc?
The InChIKey is GZUXFDCJEIXGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O6S.Zn/c2-1(3)7-8(4,5)6;/h2-3H,(H,4,5,6);.
What are the key properties of sulfooxyboronic acid;zinc?
sulfooxyboronic acid;zinc has a molecular weight of 207.29 g/mol, XLogP of -2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfooxyboronic acid;zinc is sourced from PubChem (CID 174977688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).