magnesium;strontium;barium(2+);borate

BBaMgO3Sr+3 — CID 22013254

IUPACmagnesium;strontium;barium(2+);borate
SMILES[Ba+2].[Mg+2].[O-]B([O-])[O-].[Sr+2]
InChIInChI=1S/BO3.Ba.Mg.Sr/c2-1(3)4;;;/q-3;3*+2
InChIKeyJGTPVTYEMPAISZ-UHFFFAOYSA-N
MW308.06 g/mol
LogP-5.09
Rot. Bonds

About magnesium;strontium;barium(2+);borate

magnesium;strontium;barium(2+);borate (PubChem CID 22013254) has the molecular formula BBaMgO3Sr+3 and a molecular weight of 308.06 g/mol. Its IUPAC name is magnesium;strontium;barium(2+);borate.

Molecular Properties

Compound Namemagnesium;strontium;barium(2+);borate
PubChem CID22013254
Molecular FormulaBBaMgO3Sr+3
Molecular Weight308.06 g/mol
Exact Mass308.79
IUPAC Namemagnesium;strontium;barium(2+);borate
SMILES[Ba+2].[Mg+2].[O-]B([O-])[O-].[Sr+2]
InChIInChI=1S/BO3.Ba.Mg.Sr/c2-1(3)4;;;/q-3;3*+2
InChIKeyJGTPVTYEMPAISZ-UHFFFAOYSA-N
XLogP-5.09
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.06
LogP ≤ 5-5.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;strontium;barium(2+);borate?
The IUPAC name of magnesium;strontium;barium(2+);borate (CID 22013254) is magnesium;strontium;barium(2+);borate.
What is the SMILES notation for magnesium;strontium;barium(2+);borate?
The canonical SMILES for magnesium;strontium;barium(2+);borate is [Ba+2].[Mg+2].[O-]B([O-])[O-].[Sr+2].
What is the InChIKey of magnesium;strontium;barium(2+);borate?
The InChIKey is JGTPVTYEMPAISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/BO3.Ba.Mg.Sr/c2-1(3)4;;;/q-3;3*+2.
What are the key properties of magnesium;strontium;barium(2+);borate?
magnesium;strontium;barium(2+);borate has a molecular weight of 308.06 g/mol, XLogP of -5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;strontium;barium(2+);borate is sourced from PubChem (CID 22013254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).