boronooxysulfonyloxyboronic acid

H4B2O8S — CID 173147026

IUPACboronooxysulfonyloxyboronic acid
SMILESO=S(=O)(OB(O)O)OB(O)O
InChIInChI=1S/B2H4O8S/c3-1(4)9-11(7,8)10-2(5)6/h3-6H
InChIKeyIKMCSLMHRKAJKK-UHFFFAOYSA-N
MW185.72 g/mol
LogP-3.80
Rot. Bonds4

About boronooxysulfonyloxyboronic acid

boronooxysulfonyloxyboronic acid (PubChem CID 173147026) has the molecular formula H4B2O8S and a molecular weight of 185.72 g/mol. Its IUPAC name is boronooxysulfonyloxyboronic acid.

Molecular Properties

Compound Nameboronooxysulfonyloxyboronic acid
PubChem CID173147026
Molecular FormulaH4B2O8S
Molecular Weight185.72 g/mol
Exact Mass185.98
IUPAC Nameboronooxysulfonyloxyboronic acid
SMILESO=S(=O)(OB(O)O)OB(O)O
InChIInChI=1S/B2H4O8S/c3-1(4)9-11(7,8)10-2(5)6/h3-6H
InChIKeyIKMCSLMHRKAJKK-UHFFFAOYSA-N
XLogP-3.80
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.72
LogP ≤ 5-3.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

sulfooxyboronic acid;zinc
CID 174977688
methylsulfonyloxyboronic acid
CID 141334223
boric acid;λ2-plumbane;sulfuric acid
CID 175363822
bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid
CID 175605694
boric acid;sulfurothioic O-acid
CID 173453516
lithium;hydride;iodooxyboronic acid
CID 174461573
boric acid;lead(2+);sulfate
CID 175363823
hydroperoxyboronic acid
CID 173303376
zinc;boric acid;sulfate;heptahydrate
CID 159142256
zinc;boric acid;sulfate;hydrate
CID 175982549
magnesium;alumane;boric acid;hydride;sulfuric acid
CID 173326983
azane;hydroperoxyboronic acid
CID 172819461

Frequently Asked Questions

What is the IUPAC name of boronooxysulfonyloxyboronic acid?
The IUPAC name of boronooxysulfonyloxyboronic acid (CID 173147026) is boronooxysulfonyloxyboronic acid.
What is the SMILES notation for boronooxysulfonyloxyboronic acid?
The canonical SMILES for boronooxysulfonyloxyboronic acid is O=S(=O)(OB(O)O)OB(O)O.
What is the InChIKey of boronooxysulfonyloxyboronic acid?
The InChIKey is IKMCSLMHRKAJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/B2H4O8S/c3-1(4)9-11(7,8)10-2(5)6/h3-6H.
What are the key properties of boronooxysulfonyloxyboronic acid?
boronooxysulfonyloxyboronic acid has a molecular weight of 185.72 g/mol, XLogP of -3.80, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for boronooxysulfonyloxyboronic acid is sourced from PubChem (CID 173147026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).