disodium;hydrogen borate

HBNa2O3 — CID 14496929

IUPACdisodium;hydrogen borate
SMILES[Na+].[Na+].[O-]B([O-])O
InChIInChI=1S/BHO3.2Na/c2-1(3)4;;/h2H;;/q-2;2*+1
InChIKeyFVJFRFUSHCIRKP-UHFFFAOYSA-N
MW105.80 g/mol
LogP-9.31
Rot. Bonds

About disodium;hydrogen borate

disodium;hydrogen borate (PubChem CID 14496929) has the molecular formula HBNa2O3 and a molecular weight of 105.80 g/mol. Its IUPAC name is disodium;hydrogen borate.

Molecular Properties

Compound Namedisodium;hydrogen borate
PubChem CID14496929
Molecular FormulaHBNa2O3
Molecular Weight105.80 g/mol
Exact Mass105.98
IUPAC Namedisodium;hydrogen borate
SMILES[Na+].[Na+].[O-]B([O-])O
InChIInChI=1S/BHO3.2Na/c2-1(3)4;;/h2H;;/q-2;2*+1
InChIKeyFVJFRFUSHCIRKP-UHFFFAOYSA-N
XLogP-9.31
TPSA66.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.80
LogP ≤ 5-9.31
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?
The IUPAC name of disodium;hydrogen borate (CID 14496929) is disodium;hydrogen borate.
What is the SMILES notation for disodium;hydrogen borate?
The canonical SMILES for disodium;hydrogen borate is [Na+].[Na+].[O-]B([O-])O.
What is the InChIKey of disodium;hydrogen borate?
The InChIKey is FVJFRFUSHCIRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/BHO3.2Na/c2-1(3)4;;/h2H;;/q-2;2*+1.
What are the key properties of disodium;hydrogen borate?
disodium;hydrogen borate has a molecular weight of 105.80 g/mol, XLogP of -9.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydrogen borate is sourced from PubChem (CID 14496929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).