sodium;barium(2+);oxido(oxo)borane

B3BaNaO6 — CID 173053293

IUPACsodium;barium(2+);oxido(oxo)borane
SMILESO=B[O-].O=B[O-].O=B[O-].[Ba+2].[Na+]
InChIInChI=1S/3BO2.Ba.Na/c3*2-1-3;;/q3*-1;+2;+1
InChIKeyPLVHZYHTODAPTQ-UHFFFAOYSA-N
MW288.75 g/mol
LogP-8.44
Rot. Bonds

About sodium;barium(2+);oxido(oxo)borane

sodium;barium(2+);oxido(oxo)borane (PubChem CID 173053293) has the molecular formula B3BaNaO6 and a molecular weight of 288.75 g/mol. Its IUPAC name is sodium;barium(2+);oxido(oxo)borane.

Molecular Properties

Compound Namesodium;barium(2+);oxido(oxo)borane
PubChem CID173053293
Molecular FormulaB3BaNaO6
Molecular Weight288.75 g/mol
Exact Mass289.89
IUPAC Namesodium;barium(2+);oxido(oxo)borane
SMILESO=B[O-].O=B[O-].O=B[O-].[Ba+2].[Na+]
InChIInChI=1S/3BO2.Ba.Na/c3*2-1-3;;/q3*-1;+2;+1
InChIKeyPLVHZYHTODAPTQ-UHFFFAOYSA-N
XLogP-8.44
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 5-8.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze sodium;barium(2+);oxido(oxo)borane with MolForge

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

Launch Full Analysis

Related Compounds

sodium;hydron;oxido(oxo)borane
CID 173116045
oxido(oxo)borane;rubidium(1+)
CID 23674444
potassium;oxido(oxo)borane;tetrahydrate
CID 23696941
lead(2+);oxido(oxo)borane;dihydrate
CID 25021827
CID 158551010
CID 158551010
tris(barium(2+));bis(hydroperoxy-dioxido-oxo-λ5-stibane);oxido(oxo)borane
CID 173315821
disodium;sulfite
CID 516934
trisodium;barium(2+)
CID 18534237
disodium;methane;sulfite
CID 86619477
disodium;sulfite;hexahydrate
CID 158498638
sodium;sulfite;hydrate
CID 19366461
CID 160755729
CID 160755729

Frequently Asked Questions

What is the IUPAC name of sodium;barium(2+);oxido(oxo)borane?
The IUPAC name of sodium;barium(2+);oxido(oxo)borane (CID 173053293) is sodium;barium(2+);oxido(oxo)borane.
What is the SMILES notation for sodium;barium(2+);oxido(oxo)borane?
The canonical SMILES for sodium;barium(2+);oxido(oxo)borane is O=B[O-].O=B[O-].O=B[O-].[Ba+2].[Na+].
What is the InChIKey of sodium;barium(2+);oxido(oxo)borane?
The InChIKey is PLVHZYHTODAPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3BO2.Ba.Na/c3*2-1-3;;/q3*-1;+2;+1.
What are the key properties of sodium;barium(2+);oxido(oxo)borane?
sodium;barium(2+);oxido(oxo)borane has a molecular weight of 288.75 g/mol, XLogP of -8.44, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;barium(2+);oxido(oxo)borane is sourced from PubChem (CID 173053293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).