azane;boronooxyboronic acid;tetrahydrate

H24B2N4O9 — CID 172753756

IUPACazane;boronooxyboronic acid;tetrahydrate
SMILESN.N.N.N.O.O.O.O.OB(O)OB(O)O
InChIInChI=1S/B2H4O5.4H3N.4H2O/c3-1(4)7-2(5)6;;;;;;;;/h3-6H;4*1H3;4*1H2
InChIKeyKSRVGYIXDSUKAO-UHFFFAOYSA-N
MW245.84 g/mol
LogP-5.71
Rot. Bonds2

About azane;boronooxyboronic acid;tetrahydrate

azane;boronooxyboronic acid;tetrahydrate (PubChem CID 172753756) has the molecular formula H24B2N4O9 and a molecular weight of 245.84 g/mol. Its IUPAC name is azane;boronooxyboronic acid;tetrahydrate.

Molecular Properties

Compound Nameazane;boronooxyboronic acid;tetrahydrate
PubChem CID172753756
Molecular FormulaH24B2N4O9
Molecular Weight245.84 g/mol
Exact Mass246.17
IUPAC Nameazane;boronooxyboronic acid;tetrahydrate
SMILESN.N.N.N.O.O.O.O.OB(O)OB(O)O
InChIInChI=1S/B2H4O5.4H3N.4H2O/c3-1(4)7-2(5)6;;;;;;;;/h3-6H;4*1H3;4*1H2
InChIKeyKSRVGYIXDSUKAO-UHFFFAOYSA-N
XLogP-5.71
TPSA356.15 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.84
LogP ≤ 5-5.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

azane;boric acid;hydrate
CID 172814433
azane;boric acid;tetrahydrate
CID 172699009
azane;hydroperoxyboronic acid
CID 172819461
azane;boric acid
CID 173195173
boric acid;pentahydrate
CID 139908945
azane;boric acid
CID 172700013
hydroperoxyboronic acid
CID 173303376
CID 173048509
CID 173048509
[cyano(hydroxy)boranyl]oxyboronic acid;octadecakis(pyridine)
CID 172804962
boric acid;zinc;dihydrate
CID 173216285
alumane;silyloxyboronic acid
CID 174329602
sodium;boric acid;hydride;pentahydrate
CID 173005449

Frequently Asked Questions

What is the IUPAC name of azane;boronooxyboronic acid;tetrahydrate?
The IUPAC name of azane;boronooxyboronic acid;tetrahydrate (CID 172753756) is azane;boronooxyboronic acid;tetrahydrate.
What is the SMILES notation for azane;boronooxyboronic acid;tetrahydrate?
The canonical SMILES for azane;boronooxyboronic acid;tetrahydrate is N.N.N.N.O.O.O.O.OB(O)OB(O)O.
What is the InChIKey of azane;boronooxyboronic acid;tetrahydrate?
The InChIKey is KSRVGYIXDSUKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/B2H4O5.4H3N.4H2O/c3-1(4)7-2(5)6;;;;;;;;/h3-6H;4*1H3;4*1H2.
What are the key properties of azane;boronooxyboronic acid;tetrahydrate?
azane;boronooxyboronic acid;tetrahydrate has a molecular weight of 245.84 g/mol, XLogP of -5.71, 2 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;boronooxyboronic acid;tetrahydrate is sourced from PubChem (CID 172753756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).