tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate

CH22N5O10P3 — CID 91516150

IUPACtetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate
SMILESC[NH3+].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/CH5N.4H3N.H5O10P3/c1-2;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h2H2,1H3;4*1H3;(H,7,8)(H2,1,2,3)(H2,4,5,6)
InChIKeyDNUQOQSNDJPQNC-UHFFFAOYSA-N
MW357.13 g/mol
LogP-3.49
Rot. Bonds4

About tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate

tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate (PubChem CID 91516150) has the molecular formula CH22N5O10P3 and a molecular weight of 357.13 g/mol. Its IUPAC name is tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate.

Molecular Properties

Compound Nametetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate
PubChem CID91516150
Molecular FormulaCH22N5O10P3
Molecular Weight357.13 g/mol
Exact Mass357.06
IUPAC Nametetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate
SMILESC[NH3+].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/CH5N.4H3N.H5O10P3/c1-2;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h2H2,1H3;4*1H3;(H,7,8)(H2,1,2,3)(H2,4,5,6)
InChIKeyDNUQOQSNDJPQNC-UHFFFAOYSA-N
XLogP-3.49
TPSA358.61 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 5-3.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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

Frequently Asked Questions

What is the IUPAC name of tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate?
The IUPAC name of tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate (CID 91516150) is tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate.
What is the SMILES notation for tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate?
The canonical SMILES for tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate is C[NH3+].O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].
What is the InChIKey of tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate?
The InChIKey is DNUQOQSNDJPQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N.4H3N.H5O10P3/c1-2;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h2H2,1H3;4*1H3;(H,7,8)(H2,1,2,3)(H2,4,5,6).
What are the key properties of tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate?
tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate has a molecular weight of 357.13 g/mol, XLogP of -3.49, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate is sourced from PubChem (CID 91516150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).