tris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane

H2B2Ba3O14Sb2 — CID 173315821

IUPACtris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane
SMILESO=B[O-].O=B[O-].O=[Sb]([O-])([O-])OO.O=[Sb]([O-])([O-])OO.[Ba+2].[Ba+2].[Ba+2]
InChIInChI=1S/2BO2.3Ba.2H2O2.6O.2Sb/c2*2-1-3;;;;2*1-2;;;;;;;;/h;;;;;2*1-2H;;;;;;;;/q2*-1;3*+2;;;;;4*-1;2*+1/p-2
InChIKeyTZZIVKHEWOOBEN-UHFFFAOYSA-L
MW903.13 g/mol
LogP-10.39
Rot. Bonds2

About tris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane

tris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane (PubChem CID 173315821) has the molecular formula H2B2Ba3O14Sb2 and a molecular weight of 903.13 g/mol. Its IUPAC name is tris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane.

Molecular Properties

Compound Nametris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane
PubChem CID173315821
Molecular FormulaH2B2Ba3O14Sb2
Molecular Weight903.13 g/mol
Exact Mass903.49
IUPAC Nametris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane
SMILESO=B[O-].O=B[O-].O=[Sb]([O-])([O-])OO.O=[Sb]([O-])([O-])OO.[Ba+2].[Ba+2].[Ba+2]
InChIInChI=1S/2BO2.3Ba.2H2O2.6O.2Sb/c2*2-1-3;;;;2*1-2;;;;;;;;/h;;;;;2*1-2H;;;;;;;;/q2*-1;3*+2;;;;;4*-1;2*+1/p-2
InChIKeyTZZIVKHEWOOBEN-UHFFFAOYSA-L
XLogP-10.39
TPSA265.56 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.13
LogP ≤ 5-10.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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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Related Compounds

sodium;barium(2+);oxido(oxo)borane
CID 173053293
oxido(oxo)borane;rubidium(1+)
CID 23674444
potassium;oxido(oxo)borane;tetrahydrate
CID 23696941
lead(2+);oxido(oxo)borane;dihydrate
CID 25021827
sodium;hydron;oxido(oxo)borane
CID 173116045
manganese(3+) stiborate
CID 173208301
azane;hydroxy nitrate
CID 173145569
hydroxy nitrate;lanthanum
CID 159833759
chromium;hydroxy sulfite;hydrate
CID 58883075
alumane;hydroxy nitrate;zinc
CID 173333197
sodium;hydride;hydroperoxy(oxo)borane;tetrahydrate
CID 174053701
methoxy(oxo)borane
CID 22764434

Frequently Asked Questions

What is the IUPAC name of tris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane?
The IUPAC name of tris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane (CID 173315821) is tris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane.
What is the SMILES notation for tris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane?
The canonical SMILES for tris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane is O=B[O-].O=B[O-].O=[Sb]([O-])([O-])OO.O=[Sb]([O-])([O-])OO.[Ba+2].[Ba+2].[Ba+2].
What is the InChIKey of tris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane?
The InChIKey is TZZIVKHEWOOBEN-UHFFFAOYSA-L. The full InChI is InChI=1S/2BO2.3Ba.2H2O2.6O.2Sb/c2*2-1-3;;;;2*1-2;;;;;;;;/h;;;;;2*1-2H;;;;;;;;/q2*-1;3*+2;;;;;4*-1;2*+1/p-2.
What are the key properties of tris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane?
tris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane has a molecular weight of 903.13 g/mol, XLogP of -10.39, 2 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane is sourced from PubChem (CID 173315821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).