disodium;hydrogen borate;hexahydrate

H13BNa2O9 — CID 158511023

IUPACdisodium;hydrogen borate;hexahydrate
SMILESO.O.O.O.O.O.[Na+].[Na+].[O-]B([O-])O
InChIInChI=1S/BHO3.2Na.6H2O/c2-1(3)4;;;;;;;;/h2H;;;6*1H2/q-2;2*+1;;;;;;
InChIKeyHLAZXASPXSWFGZ-UHFFFAOYSA-N
MW213.89 g/mol
LogP-14.26
Rot. Bonds

About disodium;hydrogen borate;hexahydrate

disodium;hydrogen borate;hexahydrate (PubChem CID 158511023) has the molecular formula H13BNa2O9 and a molecular weight of 213.89 g/mol. Its IUPAC name is disodium;hydrogen borate;hexahydrate.

Molecular Properties

Compound Namedisodium;hydrogen borate;hexahydrate
PubChem CID158511023
Molecular FormulaH13BNa2O9
Molecular Weight213.89 g/mol
Exact Mass214.04
IUPAC Namedisodium;hydrogen borate;hexahydrate
SMILESO.O.O.O.O.O.[Na+].[Na+].[O-]B([O-])O
InChIInChI=1S/BHO3.2Na.6H2O/c2-1(3)4;;;;;;;;/h2H;;;6*1H2/q-2;2*+1;;;;;;
InChIKeyHLAZXASPXSWFGZ-UHFFFAOYSA-N
XLogP-14.26
TPSA255.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.89
LogP ≤ 5-14.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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trisodium;borate;trihydrate
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potassium;sodium;carbonic acid;hydrogen borate
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Frequently Asked Questions

What is the IUPAC name of disodium;hydrogen borate;hexahydrate?
The IUPAC name of disodium;hydrogen borate;hexahydrate (CID 158511023) is disodium;hydrogen borate;hexahydrate.
What is the SMILES notation for disodium;hydrogen borate;hexahydrate?
The canonical SMILES for disodium;hydrogen borate;hexahydrate is O.O.O.O.O.O.[Na+].[Na+].[O-]B([O-])O.
What is the InChIKey of disodium;hydrogen borate;hexahydrate?
The InChIKey is HLAZXASPXSWFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/BHO3.2Na.6H2O/c2-1(3)4;;;;;;;;/h2H;;;6*1H2/q-2;2*+1;;;;;;.
What are the key properties of disodium;hydrogen borate;hexahydrate?
disodium;hydrogen borate;hexahydrate has a molecular weight of 213.89 g/mol, XLogP of -14.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydrogen borate;hexahydrate is sourced from PubChem (CID 158511023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).