pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride

ClK5NaO10P3 — CID 173238390

IUPACpentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Cl-].[K+].[K+].[K+].[K+].[K+].[Na+]
InChIInChI=1S/ClH.5K.Na.H5O10P3/c;;;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h1H;;;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q;6*+1;/p-6
InChIKeyLPDCJSVJHIXNPK-UHFFFAOYSA-H
MW506.85 g/mol
LogP-24.83
Rot. Bonds4

About pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride

pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride (PubChem CID 173238390) has the molecular formula ClK5NaO10P3 and a molecular weight of 506.85 g/mol. Its IUPAC name is pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride.

Molecular Properties

Compound Namepentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride
PubChem CID173238390
Molecular FormulaClK5NaO10P3
Molecular Weight506.85 g/mol
Exact Mass505.65
IUPAC Namepentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Cl-].[K+].[K+].[K+].[K+].[K+].[Na+]
InChIInChI=1S/ClH.5K.Na.H5O10P3/c;;;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h1H;;;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q;6*+1;/p-6
InChIKeyLPDCJSVJHIXNPK-UHFFFAOYSA-H
XLogP-24.83
TPSA184.97 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.85
LogP ≤ 5-24.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 174864856
pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 173412939
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
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;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride?
The IUPAC name of pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride (CID 173238390) is pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride.
What is the SMILES notation for pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride?
The canonical SMILES for pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride is O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Cl-].[K+].[K+].[K+].[K+].[K+].[Na+].
What is the InChIKey of pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride?
The InChIKey is LPDCJSVJHIXNPK-UHFFFAOYSA-H. The full InChI is InChI=1S/ClH.5K.Na.H5O10P3/c;;;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h1H;;;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q;6*+1;/p-6.
What are the key properties of pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride?
pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride has a molecular weight of 506.85 g/mol, XLogP of -24.83, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride is sourced from PubChem (CID 173238390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).