pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate

CH4K5O10P3 — CID 173412939

IUPACpentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate
SMILESC.O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/CH4.5K.H5O10P3/c;;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h1H4;;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q;5*+1;/p-5
InChIKeyURNOICBINLNTCM-UHFFFAOYSA-I
MW464.45 g/mol
LogP-18.20
Rot. Bonds4

About pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate

pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate (PubChem CID 173412939) has the molecular formula CH4K5O10P3 and a molecular weight of 464.45 g/mol. Its IUPAC name is pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate.

Molecular Properties

Compound Namepentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate
PubChem CID173412939
Molecular FormulaCH4K5O10P3
Molecular Weight464.45 g/mol
Exact Mass463.72
IUPAC Namepentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate
SMILESC.O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/CH4.5K.H5O10P3/c;;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h1H4;;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q;5*+1;/p-5
InChIKeyURNOICBINLNTCM-UHFFFAOYSA-I
XLogP-18.20
TPSA184.97 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 5-18.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze pentapotassium;methane;[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

tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 174864856
pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride
CID 173238390
pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11583874
tetracalcium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 161067553
aluminum;lead(2+);[oxido(phosphonatooxy)phosphoryl] phosphate
CID 174925900
carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 159968116
heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
CID 160593354
pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11523702
trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 173241012
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 91516150
fluoro-[oxido(phosphonatooxy)phosphoryl]oxyphosphinate
CID 23418477

Frequently Asked Questions

What is the IUPAC name of pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate?
The IUPAC name of pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate (CID 173412939) is pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate.
What is the SMILES notation for pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate?
The canonical SMILES for pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate is C.O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate?
The InChIKey is URNOICBINLNTCM-UHFFFAOYSA-I. The full InChI is InChI=1S/CH4.5K.H5O10P3/c;;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h1H4;;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q;5*+1;/p-5.
What are the key properties of pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate?
pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate has a molecular weight of 464.45 g/mol, XLogP of -18.20, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate is sourced from PubChem (CID 173412939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).