lithium;sodium;boric acid;hydrogen borate

H10B4LiNaO12 — CID 157067915

IUPAClithium;sodium;boric acid;hydrogen borate
SMILESOB(O)O.OB(O)O.OB(O)O.[Li+].[Na+].[O-]B([O-])O
InChIInChI=1S/3BH3O3.BHO3.Li.Na/c4*2-1(3)4;;/h3*2-4H;2H;;/q;;;-2;2*+1
InChIKeyACCAXKRPCDYEPB-UHFFFAOYSA-N
MW275.25 g/mol
LogP-15.46
Rot. Bonds

About lithium;sodium;boric acid;hydrogen borate

lithium;sodium;boric acid;hydrogen borate (PubChem CID 157067915) has the molecular formula H10B4LiNaO12 and a molecular weight of 275.25 g/mol. Its IUPAC name is lithium;sodium;boric acid;hydrogen borate.

Molecular Properties

Compound Namelithium;sodium;boric acid;hydrogen borate
PubChem CID157067915
Molecular FormulaH10B4LiNaO12
Molecular Weight275.25 g/mol
Exact Mass276.06
IUPAC Namelithium;sodium;boric acid;hydrogen borate
SMILESOB(O)O.OB(O)O.OB(O)O.[Li+].[Na+].[O-]B([O-])O
InChIInChI=1S/3BH3O3.BHO3.Li.Na/c4*2-1(3)4;;/h3*2-4H;2H;;/q;;;-2;2*+1
InChIKeyACCAXKRPCDYEPB-UHFFFAOYSA-N
XLogP-15.46
TPSA248.42 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500275.25
LogP ≤ 5-15.46
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

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 lithium;sodium;boric acid;hydrogen borate?
The IUPAC name of lithium;sodium;boric acid;hydrogen borate (CID 157067915) is lithium;sodium;boric acid;hydrogen borate.
What is the SMILES notation for lithium;sodium;boric acid;hydrogen borate?
The canonical SMILES for lithium;sodium;boric acid;hydrogen borate is OB(O)O.OB(O)O.OB(O)O.[Li+].[Na+].[O-]B([O-])O.
What is the InChIKey of lithium;sodium;boric acid;hydrogen borate?
The InChIKey is ACCAXKRPCDYEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/3BH3O3.BHO3.Li.Na/c4*2-1(3)4;;/h3*2-4H;2H;;/q;;;-2;2*+1.
What are the key properties of lithium;sodium;boric acid;hydrogen borate?
lithium;sodium;boric acid;hydrogen borate has a molecular weight of 275.25 g/mol, XLogP of -15.46, 0 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;boric acid;hydrogen borate is sourced from PubChem (CID 157067915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).