lithium;dihydrogen borate;hydrate

H4BLiO4 — CID 172763573

IUPAClithium;dihydrogen borate;hydrate
SMILESO.[Li+].[O-]B(O)O
InChIInChI=1S/BH2O3.Li.H2O/c2-1(3)4;;/h2-3H;;1H2/q-1;+1;
InChIKeyMAATUVLWAHMPQA-UHFFFAOYSA-N
MW85.78 g/mol
LogP-6.50
Rot. Bonds

About lithium;dihydrogen borate;hydrate

lithium;dihydrogen borate;hydrate (PubChem CID 172763573) has the molecular formula H4BLiO4 and a molecular weight of 85.78 g/mol. Its IUPAC name is lithium;dihydrogen borate;hydrate.

Molecular Properties

Compound Namelithium;dihydrogen borate;hydrate
PubChem CID172763573
Molecular FormulaH4BLiO4
Molecular Weight85.78 g/mol
Exact Mass86.04
IUPAC Namelithium;dihydrogen borate;hydrate
SMILESO.[Li+].[O-]B(O)O
InChIInChI=1S/BH2O3.Li.H2O/c2-1(3)4;;/h2-3H;;1H2/q-1;+1;
InChIKeyMAATUVLWAHMPQA-UHFFFAOYSA-N
XLogP-6.50
TPSA95.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.78
LogP ≤ 5-6.50
H-Bond Donors ≤ 52
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 lithium;dihydrogen borate;hydrate?
The IUPAC name of lithium;dihydrogen borate;hydrate (CID 172763573) is lithium;dihydrogen borate;hydrate.
What is the SMILES notation for lithium;dihydrogen borate;hydrate?
The canonical SMILES for lithium;dihydrogen borate;hydrate is O.[Li+].[O-]B(O)O.
What is the InChIKey of lithium;dihydrogen borate;hydrate?
The InChIKey is MAATUVLWAHMPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/BH2O3.Li.H2O/c2-1(3)4;;/h2-3H;;1H2/q-1;+1;.
What are the key properties of lithium;dihydrogen borate;hydrate?
lithium;dihydrogen borate;hydrate has a molecular weight of 85.78 g/mol, XLogP of -6.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dihydrogen borate;hydrate is sourced from PubChem (CID 172763573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).