pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate

H22N5O16P5 — CID 160515534

IUPACpentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)(O)O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/5H3N.H7O16P5/c;;;;;1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h5*1H3;(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6)
InChIKeyXFFFTWAJTWJTOV-UHFFFAOYSA-N
MW503.07 g/mol
LogP-1.74
Rot. Bonds8

About pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate

pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate (PubChem CID 160515534) has the molecular formula H22N5O16P5 and a molecular weight of 503.07 g/mol. Its IUPAC name is pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate.

Molecular Properties

Compound Namepentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
PubChem CID160515534
Molecular FormulaH22N5O16P5
Molecular Weight503.07 g/mol
Exact Mass502.97
IUPAC Namepentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)(O)O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/5H3N.H7O16P5/c;;;;;1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h5*1H3;(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6)
InChIKeyXFFFTWAJTWJTOV-UHFFFAOYSA-N
XLogP-1.74
TPSA460.53 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500503.07
LogP ≤ 5-1.74
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11523702
trilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate
CID 172680393
tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 174864856
phosphono phosphate
CID 57345951
heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
CID 160593354
trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 173241012
manganese(2+);phosphono phosphate
CID 138395841
disodium;phosphono dihydrogen phosphate;phosphono phosphate
CID 173430814
pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11583874
carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 159968116
tetracalcium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 161067553
aluminum;lead(2+);[oxido(phosphonatooxy)phosphoryl] phosphate
CID 174925900

Frequently Asked Questions

What is the IUPAC name of pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate?
The IUPAC name of pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate (CID 160515534) is pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate.
What is the SMILES notation for pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate?
The canonical SMILES for pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate is O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)(O)O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].
What is the InChIKey of pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate?
The InChIKey is XFFFTWAJTWJTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/5H3N.H7O16P5/c;;;;;1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h5*1H3;(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6).
What are the key properties of pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate?
pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate has a molecular weight of 503.07 g/mol, XLogP of -1.74, 8 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate is sourced from PubChem (CID 160515534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).