trisodium;borate;tetrahydrate

H8BNa3O7 — CID 140973993

IUPACtrisodium;borate;tetrahydrate
SMILESO.O.O.O.[Na+].[Na+].[Na+].[O-]B([O-])[O-]
InChIInChI=1S/BO3.3Na.4H2O/c2-1(3)4;;;;;;;/h;;;;4*1H2/q-3;3*+1;;;;
InChIKeyKFVREYFOFOLMIE-UHFFFAOYSA-N
MW199.84 g/mol
LogP-16.23
Rot. Bonds

About trisodium;borate;tetrahydrate

trisodium;borate;tetrahydrate (PubChem CID 140973993) has the molecular formula H8BNa3O7 and a molecular weight of 199.84 g/mol. Its IUPAC name is trisodium;borate;tetrahydrate.

Molecular Properties

Compound Nametrisodium;borate;tetrahydrate
PubChem CID140973993
Molecular FormulaH8BNa3O7
Molecular Weight199.84 g/mol
Exact Mass200.01
IUPAC Nametrisodium;borate;tetrahydrate
SMILESO.O.O.O.[Na+].[Na+].[Na+].[O-]B([O-])[O-]
InChIInChI=1S/BO3.3Na.4H2O/c2-1(3)4;;;;;;;/h;;;;4*1H2/q-3;3*+1;;;;
InChIKeyKFVREYFOFOLMIE-UHFFFAOYSA-N
XLogP-16.23
TPSA195.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.84
LogP ≤ 5-16.23
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;tetrahydrate?
The IUPAC name of trisodium;borate;tetrahydrate (CID 140973993) is trisodium;borate;tetrahydrate.
What is the SMILES notation for trisodium;borate;tetrahydrate?
The canonical SMILES for trisodium;borate;tetrahydrate is O.O.O.O.[Na+].[Na+].[Na+].[O-]B([O-])[O-].
What is the InChIKey of trisodium;borate;tetrahydrate?
The InChIKey is KFVREYFOFOLMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/BO3.3Na.4H2O/c2-1(3)4;;;;;;;/h;;;;4*1H2/q-3;3*+1;;;;.
What are the key properties of trisodium;borate;tetrahydrate?
trisodium;borate;tetrahydrate has a molecular weight of 199.84 g/mol, XLogP of -16.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;borate;tetrahydrate is sourced from PubChem (CID 140973993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).