disodium;hydrogen borate;tetrahydrate

H9BNa2O7 — CID 24846070

IUPACdisodium;hydrogen borate;tetrahydrate
SMILESO.O.O.O.[Na+].[Na+].[O-]B([O-])O
InChIInChI=1S/BHO3.2Na.4H2O/c2-1(3)4;;;;;;/h2H;;;4*1H2/q-2;2*+1;;;;
InChIKeyURLVJHBPRDDMQC-UHFFFAOYSA-N
MW177.86 g/mol
LogP-12.61
Rot. Bonds

About disodium;hydrogen borate;tetrahydrate

disodium;hydrogen borate;tetrahydrate (PubChem CID 24846070) has the molecular formula H9BNa2O7 and a molecular weight of 177.86 g/mol. Its IUPAC name is disodium;hydrogen borate;tetrahydrate.

Molecular Properties

Compound Namedisodium;hydrogen borate;tetrahydrate
PubChem CID24846070
Molecular FormulaH9BNa2O7
Molecular Weight177.86 g/mol
Exact Mass178.02
IUPAC Namedisodium;hydrogen borate;tetrahydrate
SMILESO.O.O.O.[Na+].[Na+].[O-]B([O-])O
InChIInChI=1S/BHO3.2Na.4H2O/c2-1(3)4;;;;;;/h2H;;;4*1H2/q-2;2*+1;;;;
InChIKeyURLVJHBPRDDMQC-UHFFFAOYSA-N
XLogP-12.61
TPSA192.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.86
LogP ≤ 5-12.61
H-Bond Donors ≤ 51
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 disodium;hydrogen borate;tetrahydrate?
The IUPAC name of disodium;hydrogen borate;tetrahydrate (CID 24846070) is disodium;hydrogen borate;tetrahydrate.
What is the SMILES notation for disodium;hydrogen borate;tetrahydrate?
The canonical SMILES for disodium;hydrogen borate;tetrahydrate is O.O.O.O.[Na+].[Na+].[O-]B([O-])O.
What is the InChIKey of disodium;hydrogen borate;tetrahydrate?
The InChIKey is URLVJHBPRDDMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/BHO3.2Na.4H2O/c2-1(3)4;;;;;;/h2H;;;4*1H2/q-2;2*+1;;;;.
What are the key properties of disodium;hydrogen borate;tetrahydrate?
disodium;hydrogen borate;tetrahydrate has a molecular weight of 177.86 g/mol, XLogP of -12.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydrogen borate;tetrahydrate is sourced from PubChem (CID 24846070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).