pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate

H22N5O12P3 — CID 11523702

IUPACpentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].OO.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/5H3N.H5O10P3.H2O2/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6;1-2/h5*1H3;(H,7,8)(H2,1,2,3)(H2,4,5,6);1-2H
InChIKeyOKXBHGAXJSFVGI-UHFFFAOYSA-N
MW377.12 g/mol
LogP-1.96
Rot. Bonds4

About pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate

pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate (PubChem CID 11523702) has the molecular formula H22N5O12P3 and a molecular weight of 377.12 g/mol. Its IUPAC name is pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate.

Molecular Properties

Compound Namepentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
PubChem CID11523702
Molecular FormulaH22N5O12P3
Molecular Weight377.12 g/mol
Exact Mass377.05
IUPAC Namepentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].OO.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/5H3N.H5O10P3.H2O2/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6;1-2/h5*1H3;(H,7,8)(H2,1,2,3)(H2,4,5,6);1-2H
InChIKeyOKXBHGAXJSFVGI-UHFFFAOYSA-N
XLogP-1.96
TPSA407.93 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500377.12
LogP ≤ 5-1.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11583874
aluminum;lead(2+);[oxido(phosphonatooxy)phosphoryl] phosphate
CID 174925900
tetracalcium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 161067553
carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 159968116
tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 91516150
pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
CID 160515534
pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 173412939
tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 174864856
pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride
CID 173238390
heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
CID 160593354
trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 173241012
fluoro-[oxido(phosphonatooxy)phosphoryl]oxyphosphinate
CID 23418477

Frequently Asked Questions

What is the IUPAC name of pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate?
The IUPAC name of pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate (CID 11523702) is pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate.
What is the SMILES notation for pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate?
The canonical SMILES for pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate is O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].OO.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].
What is the InChIKey of pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate?
The InChIKey is OKXBHGAXJSFVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/5H3N.H5O10P3.H2O2/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6;1-2/h5*1H3;(H,7,8)(H2,1,2,3)(H2,4,5,6);1-2H.
What are the key properties of pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate?
pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate has a molecular weight of 377.12 g/mol, XLogP of -1.96, 4 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate is sourced from PubChem (CID 11523702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).