trisodium;borate;trihydrate

H6BNa3O6 — CID 141011813

IUPACtrisodium;borate;trihydrate
SMILESO.O.O.[Na+].[Na+].[Na+].[O-]B([O-])[O-]
InChIInChI=1S/BO3.3Na.3H2O/c2-1(3)4;;;;;;/h;;;;3*1H2/q-3;3*+1;;;
InChIKeyMAYDHPBXPJUUEY-UHFFFAOYSA-N
MW181.82 g/mol
LogP-15.41
Rot. Bonds

About trisodium;borate;trihydrate

trisodium;borate;trihydrate (PubChem CID 141011813) has the molecular formula H6BNa3O6 and a molecular weight of 181.82 g/mol. Its IUPAC name is trisodium;borate;trihydrate.

Molecular Properties

Compound Nametrisodium;borate;trihydrate
PubChem CID141011813
Molecular FormulaH6BNa3O6
Molecular Weight181.82 g/mol
Exact Mass182.00
IUPAC Nametrisodium;borate;trihydrate
SMILESO.O.O.[Na+].[Na+].[Na+].[O-]B([O-])[O-]
InChIInChI=1S/BO3.3Na.3H2O/c2-1(3)4;;;;;;/h;;;;3*1H2/q-3;3*+1;;;
InChIKeyMAYDHPBXPJUUEY-UHFFFAOYSA-N
XLogP-15.41
TPSA163.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.82
LogP ≤ 5-15.41
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 trisodium;borate;trihydrate?
The IUPAC name of trisodium;borate;trihydrate (CID 141011813) is trisodium;borate;trihydrate.
What is the SMILES notation for trisodium;borate;trihydrate?
The canonical SMILES for trisodium;borate;trihydrate is O.O.O.[Na+].[Na+].[Na+].[O-]B([O-])[O-].
What is the InChIKey of trisodium;borate;trihydrate?
The InChIKey is MAYDHPBXPJUUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/BO3.3Na.3H2O/c2-1(3)4;;;;;;/h;;;;3*1H2/q-3;3*+1;;;.
What are the key properties of trisodium;borate;trihydrate?
trisodium;borate;trihydrate has a molecular weight of 181.82 g/mol, XLogP of -15.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;borate;trihydrate is sourced from PubChem (CID 141011813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).