sodium;oxido(oxo)borane;dihydrate

H4BNaO4 — CID 23701135

IUPACsodium;oxido(oxo)borane;dihydrate
SMILESO.O.O=B[O-].[Na+]
InChIInChI=1S/BO2.Na.2H2O/c2-1-3;;;/h;;2*1H2/q-1;+1;;
InChIKeyPKSSFLLYULKTIU-UHFFFAOYSA-N
MW101.83 g/mol
LogP-6.33
Rot. Bonds

About sodium;oxido(oxo)borane;dihydrate

sodium;oxido(oxo)borane;dihydrate (PubChem CID 23701135) has the molecular formula H4BNaO4 and a molecular weight of 101.83 g/mol. Its IUPAC name is sodium;oxido(oxo)borane;dihydrate.

Molecular Properties

Compound Namesodium;oxido(oxo)borane;dihydrate
PubChem CID23701135
Molecular FormulaH4BNaO4
Molecular Weight101.83 g/mol
Exact Mass102.01
IUPAC Namesodium;oxido(oxo)borane;dihydrate
SMILESO.O.O=B[O-].[Na+]
InChIInChI=1S/BO2.Na.2H2O/c2-1-3;;;/h;;2*1H2/q-1;+1;;
InChIKeyPKSSFLLYULKTIU-UHFFFAOYSA-N
XLogP-6.33
TPSA103.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.83
LogP ≤ 5-6.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 sodium;oxido(oxo)borane;dihydrate?
The IUPAC name of sodium;oxido(oxo)borane;dihydrate (CID 23701135) is sodium;oxido(oxo)borane;dihydrate.
What is the SMILES notation for sodium;oxido(oxo)borane;dihydrate?
The canonical SMILES for sodium;oxido(oxo)borane;dihydrate is O.O.O=B[O-].[Na+].
What is the InChIKey of sodium;oxido(oxo)borane;dihydrate?
The InChIKey is PKSSFLLYULKTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/BO2.Na.2H2O/c2-1-3;;;/h;;2*1H2/q-1;+1;;.
What are the key properties of sodium;oxido(oxo)borane;dihydrate?
sodium;oxido(oxo)borane;dihydrate has a molecular weight of 101.83 g/mol, XLogP of -6.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;oxido(oxo)borane;dihydrate is sourced from PubChem (CID 23701135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).