hydroperoxyboronic acid;pentahydrate

H13BO9 — CID 173203101

IUPAChydroperoxyboronic acid;pentahydrate
SMILESO.O.O.O.O.OOB(O)O
InChIInChI=1S/BH3O4.5H2O/c2-1(3)5-4;;;;;/h2-4H;5*1H2
InChIKeyKKBGQNZMLFUISW-UHFFFAOYSA-N
MW167.91 g/mol
LogP-5.68
Rot. Bonds1

About hydroperoxyboronic acid;pentahydrate

hydroperoxyboronic acid;pentahydrate (PubChem CID 173203101) has the molecular formula H13BO9 and a molecular weight of 167.91 g/mol. Its IUPAC name is hydroperoxyboronic acid;pentahydrate.

Molecular Properties

Compound Namehydroperoxyboronic acid;pentahydrate
PubChem CID173203101
Molecular FormulaH13BO9
Molecular Weight167.91 g/mol
Exact Mass168.07
IUPAC Namehydroperoxyboronic acid;pentahydrate
SMILESO.O.O.O.O.OOB(O)O
InChIInChI=1S/BH3O4.5H2O/c2-1(3)5-4;;;;;/h2-4H;5*1H2
InChIKeyKKBGQNZMLFUISW-UHFFFAOYSA-N
XLogP-5.68
TPSA227.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.91
LogP ≤ 5-5.68
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'}

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Frequently Asked Questions

What is the IUPAC name of hydroperoxyboronic acid;pentahydrate?
The IUPAC name of hydroperoxyboronic acid;pentahydrate (CID 173203101) is hydroperoxyboronic acid;pentahydrate.
What is the SMILES notation for hydroperoxyboronic acid;pentahydrate?
The canonical SMILES for hydroperoxyboronic acid;pentahydrate is O.O.O.O.O.OOB(O)O.
What is the InChIKey of hydroperoxyboronic acid;pentahydrate?
The InChIKey is KKBGQNZMLFUISW-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O4.5H2O/c2-1(3)5-4;;;;;/h2-4H;5*1H2.
What are the key properties of hydroperoxyboronic acid;pentahydrate?
hydroperoxyboronic acid;pentahydrate has a molecular weight of 167.91 g/mol, XLogP of -5.68, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyboronic acid;pentahydrate is sourced from PubChem (CID 173203101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).