hydroperoxyboronic acid;tetrahydrate

H11BO8 — CID 173000445

IUPAChydroperoxyboronic acid;tetrahydrate
SMILESO.O.O.O.OOB(O)O
InChIInChI=1S/BH3O4.4H2O/c2-1(3)5-4;;;;/h2-4H;4*1H2
InChIKeyPUPLVDYHHHNHQH-UHFFFAOYSA-N
MW149.89 g/mol
LogP-4.85
Rot. Bonds1

About hydroperoxyboronic acid;tetrahydrate

hydroperoxyboronic acid;tetrahydrate (PubChem CID 173000445) has the molecular formula H11BO8 and a molecular weight of 149.89 g/mol. Its IUPAC name is hydroperoxyboronic acid;tetrahydrate.

Molecular Properties

Compound Namehydroperoxyboronic acid;tetrahydrate
PubChem CID173000445
Molecular FormulaH11BO8
Molecular Weight149.89 g/mol
Exact Mass150.05
IUPAC Namehydroperoxyboronic acid;tetrahydrate
SMILESO.O.O.O.OOB(O)O
InChIInChI=1S/BH3O4.4H2O/c2-1(3)5-4;;;;/h2-4H;4*1H2
InChIKeyPUPLVDYHHHNHQH-UHFFFAOYSA-N
XLogP-4.85
TPSA195.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.89
LogP ≤ 5-4.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze hydroperoxyboronic acid;tetrahydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroperoxyboronic acid;tetrahydrate?
The IUPAC name of hydroperoxyboronic acid;tetrahydrate (CID 173000445) is hydroperoxyboronic acid;tetrahydrate.
What is the SMILES notation for hydroperoxyboronic acid;tetrahydrate?
The canonical SMILES for hydroperoxyboronic acid;tetrahydrate is O.O.O.O.OOB(O)O.
What is the InChIKey of hydroperoxyboronic acid;tetrahydrate?
The InChIKey is PUPLVDYHHHNHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O4.4H2O/c2-1(3)5-4;;;;/h2-4H;4*1H2.
What are the key properties of hydroperoxyboronic acid;tetrahydrate?
hydroperoxyboronic acid;tetrahydrate has a molecular weight of 149.89 g/mol, XLogP of -4.85, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyboronic acid;tetrahydrate is sourced from PubChem (CID 173000445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).