trisodium;borate;dihydrate

H4BNa3O5 — CID 141495588

IUPACtrisodium;borate;dihydrate
SMILESO.O.[Na+].[Na+].[Na+].[O-]B([O-])[O-]
InChIInChI=1S/BO3.3Na.2H2O/c2-1(3)4;;;;;/h;;;;2*1H2/q-3;3*+1;;
InChIKeyGOCYOWTYSKXMTR-UHFFFAOYSA-N
MW163.81 g/mol
LogP-14.59
Rot. Bonds

About trisodium;borate;dihydrate

trisodium;borate;dihydrate (PubChem CID 141495588) has the molecular formula H4BNa3O5 and a molecular weight of 163.81 g/mol. Its IUPAC name is trisodium;borate;dihydrate.

Molecular Properties

Compound Nametrisodium;borate;dihydrate
PubChem CID141495588
Molecular FormulaH4BNa3O5
Molecular Weight163.81 g/mol
Exact Mass163.98
IUPAC Nametrisodium;borate;dihydrate
SMILESO.O.[Na+].[Na+].[Na+].[O-]B([O-])[O-]
InChIInChI=1S/BO3.3Na.2H2O/c2-1(3)4;;;;;/h;;;;2*1H2/q-3;3*+1;;
InChIKeyGOCYOWTYSKXMTR-UHFFFAOYSA-N
XLogP-14.59
TPSA132.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.81
LogP ≤ 5-14.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trisodium;borate;dihydrate with MolForge

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

Launch Full Analysis

Related Compounds

Sodium metaborate dihydrate
CID 23701135
Sodium tetrahydroxoborate
CID 23662119
Boric acid sodium hydroxide
CID 86600974
Sodium borate hydrate
CID 140969314
Sodium borate tetrahydrate
CID 140973993
Kernite (B4Na2O7.4H2O)
CID 24846070
Trisodium;dioxido(oxidooxy)borane;trihydrate
CID 21737555
Disodium bis(dihydrogen borate)
CID 24835825
Sodium;dihydrogen borate;hydrate
CID 131674097
Trisodium;borate;trihydrate
CID 141011813
Trisodium;hydrogen peroxide;borate;hydrate
CID 157626163
Trisodium;hydrogen borate;hydroxide
CID 157695415

Frequently Asked Questions

What is the IUPAC name of trisodium;borate;dihydrate?
The IUPAC name of trisodium;borate;dihydrate (CID 141495588) is trisodium;borate;dihydrate.
What is the SMILES notation for trisodium;borate;dihydrate?
The canonical SMILES for trisodium;borate;dihydrate is O.O.[Na+].[Na+].[Na+].[O-]B([O-])[O-].
What is the InChIKey of trisodium;borate;dihydrate?
The InChIKey is GOCYOWTYSKXMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/BO3.3Na.2H2O/c2-1(3)4;;;;;/h;;;;2*1H2/q-3;3*+1;;.
What are the key properties of trisodium;borate;dihydrate?
trisodium;borate;dihydrate has a molecular weight of 163.81 g/mol, XLogP of -14.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;borate;dihydrate is sourced from PubChem (CID 141495588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).