hydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate

H13B3O10 — CID 160999940

IUPAChydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate
SMILESO.O.O.O.O=BB(O)O.O=BOO.[H][H]
InChIInChI=1S/B2H2O3.BHO3.4H2O.H2/c3-1-2(4)5;2-1-4-3;;;;;/h4-5H;3H;4*1H2;1H
InChIKeyAFKIPHDSNPLZJB-UHFFFAOYSA-N
MW205.53 g/mol
LogP-5.61
Rot. Bonds2

About hydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate

hydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate (PubChem CID 160999940) has the molecular formula H13B3O10 and a molecular weight of 205.53 g/mol. Its IUPAC name is hydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate.

Molecular Properties

Compound Namehydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate
PubChem CID160999940
Molecular FormulaH13B3O10
Molecular Weight205.53 g/mol
Exact Mass206.08
IUPAC Namehydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate
SMILESO.O.O.O.O=BB(O)O.O=BOO.[H][H]
InChIInChI=1S/B2H2O3.BHO3.4H2O.H2/c3-1-2(4)5;2-1-4-3;;;;;/h4-5H;3H;4*1H2;1H
InChIKeyAFKIPHDSNPLZJB-UHFFFAOYSA-N
XLogP-5.61
TPSA230.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.53
LogP ≤ 5-5.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 hydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate?
The IUPAC name of hydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate (CID 160999940) is hydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate.
What is the SMILES notation for hydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate?
The canonical SMILES for hydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate is O.O.O.O.O=BB(O)O.O=BOO.[H][H].
What is the InChIKey of hydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate?
The InChIKey is AFKIPHDSNPLZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/B2H2O3.BHO3.4H2O.H2/c3-1-2(4)5;2-1-4-3;;;;;/h4-5H;3H;4*1H2;1H.
What are the key properties of hydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate?
hydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate has a molecular weight of 205.53 g/mol, XLogP of -5.61, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxy(oxo)borane;molecular hydrogen;oxoboranylboronic acid;tetrahydrate is sourced from PubChem (CID 160999940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).