azane;boric acid;tetrahydrate

H56B4N12O16 — CID 172699009

IUPACazane;boric acid;tetrahydrate
SMILESN.N.N.N.N.N.N.N.N.N.N.N.O.O.O.O.OB(O)O.OB(O)O.OB(O)O.OB(O)O
InChIInChI=1S/4BH3O3.12H3N.4H2O/c4*2-1(3)4;;;;;;;;;;;;;;;;/h4*2-4H;12*1H3;4*1H2
InChIKeyCSBQTJMUTQBFKZ-UHFFFAOYSA-N
MW523.76 g/mol
LogP-9.56
Rot. Bonds

About azane;boric acid;tetrahydrate

azane;boric acid;tetrahydrate (PubChem CID 172699009) has the molecular formula H56B4N12O16 and a molecular weight of 523.76 g/mol. Its IUPAC name is azane;boric acid;tetrahydrate.

Molecular Properties

Compound Nameazane;boric acid;tetrahydrate
PubChem CID172699009
Molecular FormulaH56B4N12O16
Molecular Weight523.76 g/mol
Exact Mass524.43
IUPAC Nameazane;boric acid;tetrahydrate
SMILESN.N.N.N.N.N.N.N.N.N.N.N.O.O.O.O.OB(O)O.OB(O)O.OB(O)O.OB(O)O
InChIInChI=1S/4BH3O3.12H3N.4H2O/c4*2-1(3)4;;;;;;;;;;;;;;;;/h4*2-4H;12*1H3;4*1H2
InChIKeyCSBQTJMUTQBFKZ-UHFFFAOYSA-N
XLogP-9.56
TPSA788.76 Ų
H-Bond Donors24
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500523.76
LogP ≤ 5-9.56
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1024

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 azane;boric acid;tetrahydrate?
The IUPAC name of azane;boric acid;tetrahydrate (CID 172699009) is azane;boric acid;tetrahydrate.
What is the SMILES notation for azane;boric acid;tetrahydrate?
The canonical SMILES for azane;boric acid;tetrahydrate is N.N.N.N.N.N.N.N.N.N.N.N.O.O.O.O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.
What is the InChIKey of azane;boric acid;tetrahydrate?
The InChIKey is CSBQTJMUTQBFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4BH3O3.12H3N.4H2O/c4*2-1(3)4;;;;;;;;;;;;;;;;/h4*2-4H;12*1H3;4*1H2.
What are the key properties of azane;boric acid;tetrahydrate?
azane;boric acid;tetrahydrate has a molecular weight of 523.76 g/mol, XLogP of -9.56, 0 rotatable bonds, 24 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for azane;boric acid;tetrahydrate is sourced from PubChem (CID 172699009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).