disodium bis(dihydrogen borate)

H4B2Na2O6 — CID 24835825

IUPACdisodium bis(dihydrogen borate)
SMILES[Na+].[Na+].[O-]B(O)O.[O-]B(O)O
InChIInChI=1S/2BH2O3.2Na/c2*2-1(3)4;;/h2*2-3H;;/q2*-1;2*+1
InChIKeyFXKZIRQAZMOSMR-UHFFFAOYSA-N
MW167.63 g/mol
LogP-11.36
Rot. Bonds

About disodium bis(dihydrogen borate)

disodium bis(dihydrogen borate) (PubChem CID 24835825) has the molecular formula H4B2Na2O6 and a molecular weight of 167.63 g/mol. Its IUPAC name is disodium bis(dihydrogen borate).

Molecular Properties

Compound Namedisodium bis(dihydrogen borate)
PubChem CID24835825
Molecular FormulaH4B2Na2O6
Molecular Weight167.63 g/mol
Exact Mass168.00
IUPAC Namedisodium bis(dihydrogen borate)
SMILES[Na+].[Na+].[O-]B(O)O.[O-]B(O)O
InChIInChI=1S/2BH2O3.2Na/c2*2-1(3)4;;/h2*2-3H;;/q2*-1;2*+1
InChIKeyFXKZIRQAZMOSMR-UHFFFAOYSA-N
XLogP-11.36
TPSA127.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.63
LogP ≤ 5-11.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 bis(dihydrogen borate)?
The IUPAC name of disodium bis(dihydrogen borate) (CID 24835825) is disodium bis(dihydrogen borate).
What is the SMILES notation for disodium bis(dihydrogen borate)?
The canonical SMILES for disodium bis(dihydrogen borate) is [Na+].[Na+].[O-]B(O)O.[O-]B(O)O.
What is the InChIKey of disodium bis(dihydrogen borate)?
The InChIKey is FXKZIRQAZMOSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2BH2O3.2Na/c2*2-1(3)4;;/h2*2-3H;;/q2*-1;2*+1.
What are the key properties of disodium bis(dihydrogen borate)?
disodium bis(dihydrogen borate) has a molecular weight of 167.63 g/mol, XLogP of -11.36, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis(dihydrogen borate) is sourced from PubChem (CID 24835825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).