sodium;dihydrogen borate;pentahydrate

H12BNaO8 — CID 23715711

IUPACsodium;dihydrogen borate;pentahydrate
SMILESO.O.O.O.O.[Na+].[O-]B(O)O
InChIInChI=1S/BH2O3.Na.5H2O/c2-1(3)4;;;;;;/h2-3H;;5*1H2/q-1;+1;;;;;
InChIKeySCWQKIMPOMEFGN-UHFFFAOYSA-N
MW173.89 g/mol
LogP-9.80
Rot. Bonds

About sodium;dihydrogen borate;pentahydrate

sodium;dihydrogen borate;pentahydrate (PubChem CID 23715711) has the molecular formula H12BNaO8 and a molecular weight of 173.89 g/mol. Its IUPAC name is sodium;dihydrogen borate;pentahydrate.

Molecular Properties

Compound Namesodium;dihydrogen borate;pentahydrate
PubChem CID23715711
Molecular FormulaH12BNaO8
Molecular Weight173.89 g/mol
Exact Mass174.05
IUPAC Namesodium;dihydrogen borate;pentahydrate
SMILESO.O.O.O.O.[Na+].[O-]B(O)O
InChIInChI=1S/BH2O3.Na.5H2O/c2-1(3)4;;;;;;/h2-3H;;5*1H2/q-1;+1;;;;;
InChIKeySCWQKIMPOMEFGN-UHFFFAOYSA-N
XLogP-9.80
TPSA221.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.89
LogP ≤ 5-9.80
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of sodium;dihydrogen borate;pentahydrate?
The IUPAC name of sodium;dihydrogen borate;pentahydrate (CID 23715711) is sodium;dihydrogen borate;pentahydrate.
What is the SMILES notation for sodium;dihydrogen borate;pentahydrate?
The canonical SMILES for sodium;dihydrogen borate;pentahydrate is O.O.O.O.O.[Na+].[O-]B(O)O.
What is the InChIKey of sodium;dihydrogen borate;pentahydrate?
The InChIKey is SCWQKIMPOMEFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/BH2O3.Na.5H2O/c2-1(3)4;;;;;;/h2-3H;;5*1H2/q-1;+1;;;;;.
What are the key properties of sodium;dihydrogen borate;pentahydrate?
sodium;dihydrogen borate;pentahydrate has a molecular weight of 173.89 g/mol, XLogP of -9.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dihydrogen borate;pentahydrate is sourced from PubChem (CID 23715711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).