magnesium;sodium;borate;hydrate

H2BMgNaO4 — CID 173077041

IUPACmagnesium;sodium;borate;hydrate
SMILESO.[Mg+2].[Na+].[O-]B([O-])[O-]
InChIInChI=1S/BO3.Mg.Na.H2O/c2-1(3)4;;;/h;;;1H2/q-3;+2;+1;
InChIKeyLGTCILRLMMOIEG-UHFFFAOYSA-N
MW124.12 g/mol
LogP-8.15
Rot. Bonds

About magnesium;sodium;borate;hydrate

magnesium;sodium;borate;hydrate (PubChem CID 173077041) has the molecular formula H2BMgNaO4 and a molecular weight of 124.12 g/mol. Its IUPAC name is magnesium;sodium;borate;hydrate.

Molecular Properties

Compound Namemagnesium;sodium;borate;hydrate
PubChem CID173077041
Molecular FormulaH2BMgNaO4
Molecular Weight124.12 g/mol
Exact Mass123.98
IUPAC Namemagnesium;sodium;borate;hydrate
SMILESO.[Mg+2].[Na+].[O-]B([O-])[O-]
InChIInChI=1S/BO3.Mg.Na.H2O/c2-1(3)4;;;/h;;;1H2/q-3;+2;+1;
InChIKeyLGTCILRLMMOIEG-UHFFFAOYSA-N
XLogP-8.15
TPSA100.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.12
LogP ≤ 5-8.15
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;sodium;borate;hydrate?
The IUPAC name of magnesium;sodium;borate;hydrate (CID 173077041) is magnesium;sodium;borate;hydrate.
What is the SMILES notation for magnesium;sodium;borate;hydrate?
The canonical SMILES for magnesium;sodium;borate;hydrate is O.[Mg+2].[Na+].[O-]B([O-])[O-].
What is the InChIKey of magnesium;sodium;borate;hydrate?
The InChIKey is LGTCILRLMMOIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/BO3.Mg.Na.H2O/c2-1(3)4;;;/h;;;1H2/q-3;+2;+1;.
What are the key properties of magnesium;sodium;borate;hydrate?
magnesium;sodium;borate;hydrate has a molecular weight of 124.12 g/mol, XLogP of -8.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;sodium;borate;hydrate is sourced from PubChem (CID 173077041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).