dilithium;disodium;boric acid;hydrogen borate;dihydroxide

H24B8Li2Na2O26 — CID 172686380

IUPACdilithium;disodium;boric acid;hydrogen borate;dihydroxide
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.[Li+].[Li+].[Na+].[Na+].[O-]B([O-])O.[OH-].[OH-]
InChIInChI=1S/7BH3O3.BHO3.2Li.2Na.2H2O/c8*2-1(3)4;;;;;;/h7*2-4H;2H;;;;;2*1H2/q;;;;;;;-2;4*+1;;/p-2
InChIKeyBBZKWQKWAPUAPV-UHFFFAOYSA-L
MW586.52 g/mol
LogP-30.02
Rot. Bonds

About dilithium;disodium;boric acid;hydrogen borate;dihydroxide

dilithium;disodium;boric acid;hydrogen borate;dihydroxide (PubChem CID 172686380) has the molecular formula H24B8Li2Na2O26 and a molecular weight of 586.52 g/mol. Its IUPAC name is dilithium;disodium;boric acid;hydrogen borate;dihydroxide.

Molecular Properties

Compound Namedilithium;disodium;boric acid;hydrogen borate;dihydroxide
PubChem CID172686380
Molecular FormulaH24B8Li2Na2O26
Molecular Weight586.52 g/mol
Exact Mass588.14
IUPAC Namedilithium;disodium;boric acid;hydrogen borate;dihydroxide
SMILESOB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.[Li+].[Li+].[Na+].[Na+].[O-]B([O-])O.[OH-].[OH-]
InChIInChI=1S/7BH3O3.BHO3.2Li.2Na.2H2O/c8*2-1(3)4;;;;;;/h7*2-4H;2H;;;;;2*1H2/q;;;;;;;-2;4*+1;;/p-2
InChIKeyBBZKWQKWAPUAPV-UHFFFAOYSA-L
XLogP-30.02
TPSA551.18 Ų
H-Bond Donors22
H-Bond Acceptors26
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500586.52
LogP ≤ 5-30.02
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1026

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 dilithium;disodium;boric acid;hydrogen borate;dihydroxide?
The IUPAC name of dilithium;disodium;boric acid;hydrogen borate;dihydroxide (CID 172686380) is dilithium;disodium;boric acid;hydrogen borate;dihydroxide.
What is the SMILES notation for dilithium;disodium;boric acid;hydrogen borate;dihydroxide?
The canonical SMILES for dilithium;disodium;boric acid;hydrogen borate;dihydroxide is OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.[Li+].[Li+].[Na+].[Na+].[O-]B([O-])O.[OH-].[OH-].
What is the InChIKey of dilithium;disodium;boric acid;hydrogen borate;dihydroxide?
The InChIKey is BBZKWQKWAPUAPV-UHFFFAOYSA-L. The full InChI is InChI=1S/7BH3O3.BHO3.2Li.2Na.2H2O/c8*2-1(3)4;;;;;;/h7*2-4H;2H;;;;;2*1H2/q;;;;;;;-2;4*+1;;/p-2.
What are the key properties of dilithium;disodium;boric acid;hydrogen borate;dihydroxide?
dilithium;disodium;boric acid;hydrogen borate;dihydroxide has a molecular weight of 586.52 g/mol, XLogP of -30.02, 0 rotatable bonds, 22 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;disodium;boric acid;hydrogen borate;dihydroxide is sourced from PubChem (CID 172686380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).