trimagnesium;boric acid;oxygen(2-);tetrahydrate

H11BMg3O8+4 — CID 173077053

IUPACtrimagnesium;boric acid;oxygen(2-);tetrahydrate
SMILESO.O.O.O.OB(O)O.[Mg+2].[Mg+2].[Mg+2].[O-2]
InChIInChI=1S/BH3O3.3Mg.4H2O.O/c2-1(3)4;;;;;;;;/h2-4H;;;;4*1H2;/q;3*+2;;;;;-2
InChIKeyVFHGWPIBEGUEPM-UHFFFAOYSA-N
MW222.81 g/mol
LogP-6.61
Rot. Bonds

About trimagnesium;boric acid;oxygen(2-);tetrahydrate

trimagnesium;boric acid;oxygen(2-);tetrahydrate (PubChem CID 173077053) has the molecular formula H11BMg3O8+4 and a molecular weight of 222.81 g/mol. Its IUPAC name is trimagnesium;boric acid;oxygen(2-);tetrahydrate.

Molecular Properties

Compound Nametrimagnesium;boric acid;oxygen(2-);tetrahydrate
PubChem CID173077053
Molecular FormulaH11BMg3O8+4
Molecular Weight222.81 g/mol
Exact Mass222.01
IUPAC Nametrimagnesium;boric acid;oxygen(2-);tetrahydrate
SMILESO.O.O.O.OB(O)O.[Mg+2].[Mg+2].[Mg+2].[O-2]
InChIInChI=1S/BH3O3.3Mg.4H2O.O/c2-1(3)4;;;;;;;;/h2-4H;;;;4*1H2;/q;3*+2;;;;;-2
InChIKeyVFHGWPIBEGUEPM-UHFFFAOYSA-N
XLogP-6.61
TPSA215.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.81
LogP ≤ 5-6.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

boric acid;pentahydrate
CID 139908945
barium(2+);boric acid;oxygen(2-)
CID 22406411
CID 173048509
CID 173048509
azane;boric acid;hydrate
CID 172814433
azane;boric acid;tetrahydrate
CID 172699009
boric acid;zinc;dihydrate
CID 173216285
boric acid
CID 173080807
boric acid;hydrazine;hexahydrate
CID 160899098
potassium;boric acid;hydride;dihydrate
CID 175521118
sodium;boric acid;hydride;tetrahydrate
CID 173005468
sodium;boric acid;hydride;pentahydrate
CID 173005449
boric acid;sulfane
CID 173015947

Frequently Asked Questions

What is the IUPAC name of trimagnesium;boric acid;oxygen(2-);tetrahydrate?
The IUPAC name of trimagnesium;boric acid;oxygen(2-);tetrahydrate (CID 173077053) is trimagnesium;boric acid;oxygen(2-);tetrahydrate.
What is the SMILES notation for trimagnesium;boric acid;oxygen(2-);tetrahydrate?
The canonical SMILES for trimagnesium;boric acid;oxygen(2-);tetrahydrate is O.O.O.O.OB(O)O.[Mg+2].[Mg+2].[Mg+2].[O-2].
What is the InChIKey of trimagnesium;boric acid;oxygen(2-);tetrahydrate?
The InChIKey is VFHGWPIBEGUEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3.3Mg.4H2O.O/c2-1(3)4;;;;;;;;/h2-4H;;;;4*1H2;/q;3*+2;;;;;-2.
What are the key properties of trimagnesium;boric acid;oxygen(2-);tetrahydrate?
trimagnesium;boric acid;oxygen(2-);tetrahydrate has a molecular weight of 222.81 g/mol, XLogP of -6.61, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;boric acid;oxygen(2-);tetrahydrate is sourced from PubChem (CID 173077053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).