azane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium

H36B10N2O30 — CID 170843459

IUPACazane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium
SMILESN.N.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB([OH2+])[OH2+].[O-]B([O-])O
InChIInChI=1S/9BH3O3.BHO3.2H3N/c10*2-1(3)4;;/h9*2-4H;2H;2*1H3/q;;;;;;;;;-2;;/p+2
InChIKeyORDVYTASWYLURF-UHFFFAOYSA-P
MW652.39 g/mol
LogP-21.99
Rot. Bonds

About azane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium

azane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium (PubChem CID 170843459) has the molecular formula H36B10N2O30 and a molecular weight of 652.39 g/mol. Its IUPAC name is azane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium.

Molecular Properties

Compound Nameazane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium
PubChem CID170843459
Molecular FormulaH36B10N2O30
Molecular Weight652.39 g/mol
Exact Mass654.23
IUPAC Nameazane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium
SMILESN.N.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB([OH2+])[OH2+].[O-]B([O-])O
InChIInChI=1S/9BH3O3.BHO3.2H3N/c10*2-1(3)4;;/h9*2-4H;2H;2*1H3/q;;;;;;;;;-2;;/p+2
InChIKeyORDVYTASWYLURF-UHFFFAOYSA-P
XLogP-21.99
TPSA687.90 Ų
H-Bond Donors28
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500652.39
LogP ≤ 5-21.99
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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sodium;azane;dihydrogen borate
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Frequently Asked Questions

What is the IUPAC name of azane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium?
The IUPAC name of azane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium (CID 170843459) is azane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium.
What is the SMILES notation for azane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium?
The canonical SMILES for azane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium is N.N.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB(O)O.OB([OH2+])[OH2+].[O-]B([O-])O.
What is the InChIKey of azane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium?
The InChIKey is ORDVYTASWYLURF-UHFFFAOYSA-P. The full InChI is InChI=1S/9BH3O3.BHO3.2H3N/c10*2-1(3)4;;/h9*2-4H;2H;2*1H3/q;;;;;;;;;-2;;/p+2.
What are the key properties of azane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium?
azane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium has a molecular weight of 652.39 g/mol, XLogP of -21.99, 0 rotatable bonds, 28 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for azane;boric acid;hydrogen borate;[hydroxy(oxonio)boranyl]oxidanium is sourced from PubChem (CID 170843459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).