trisodium;borate;hydrate

H2BNa3O4 — CID 140969314

IUPACtrisodium;borate;hydrate
SMILESO.[Na+].[Na+].[Na+].[O-]B([O-])[O-]
InChIInChI=1S/BO3.3Na.H2O/c2-1(3)4;;;;/h;;;;1H2/q-3;3*+1;
InChIKeyKCFQLCPMVCXRHF-UHFFFAOYSA-N
MW145.79 g/mol
LogP-13.76
Rot. Bonds

About trisodium;borate;hydrate

trisodium;borate;hydrate (PubChem CID 140969314) has the molecular formula H2BNa3O4 and a molecular weight of 145.79 g/mol. Its IUPAC name is trisodium;borate;hydrate.

Molecular Properties

Compound Nametrisodium;borate;hydrate
PubChem CID140969314
Molecular FormulaH2BNa3O4
Molecular Weight145.79 g/mol
Exact Mass145.97
IUPAC Nametrisodium;borate;hydrate
SMILESO.[Na+].[Na+].[Na+].[O-]B([O-])[O-]
InChIInChI=1S/BO3.3Na.H2O/c2-1(3)4;;;;/h;;;;1H2/q-3;3*+1;
InChIKeyKCFQLCPMVCXRHF-UHFFFAOYSA-N
XLogP-13.76
TPSA100.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.79
LogP ≤ 5-13.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trisodium;borate;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trisodium;borate;hydrate?
The IUPAC name of trisodium;borate;hydrate (CID 140969314) is trisodium;borate;hydrate.
What is the SMILES notation for trisodium;borate;hydrate?
The canonical SMILES for trisodium;borate;hydrate is O.[Na+].[Na+].[Na+].[O-]B([O-])[O-].
What is the InChIKey of trisodium;borate;hydrate?
The InChIKey is KCFQLCPMVCXRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/BO3.3Na.H2O/c2-1(3)4;;;;/h;;;;1H2/q-3;3*+1;.
What are the key properties of trisodium;borate;hydrate?
trisodium;borate;hydrate has a molecular weight of 145.79 g/mol, XLogP of -13.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;borate;hydrate is sourced from PubChem (CID 140969314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).