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

H2K5O12P3 — CID 11583874

IUPACpentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].OO.[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/5K.H5O10P3.H2O2/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6;1-2/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6);1-2H/q5*+1;;/p-5
InChIKeyVAKDYDZRSFIBAM-UHFFFAOYSA-I
MW482.42 g/mol
LogP-18.82
Rot. Bonds4

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

pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate (PubChem CID 11583874) has the molecular formula H2K5O12P3 and a molecular weight of 482.42 g/mol. Its IUPAC name is pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate.

Molecular Properties

Compound Namepentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
PubChem CID11583874
Molecular FormulaH2K5O12P3
Molecular Weight482.42 g/mol
Exact Mass481.69
IUPAC Namepentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].OO.[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/5K.H5O10P3.H2O2/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6;1-2/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6);1-2H/q5*+1;;/p-5
InChIKeyVAKDYDZRSFIBAM-UHFFFAOYSA-I
XLogP-18.82
TPSA225.43 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.42
LogP ≤ 5-18.82
H-Bond Donors ≤ 52
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'}

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Related Compounds

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CID 11523702
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CID 174864856
pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride
CID 173238390
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CID 173412939
tetracalcium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 161067553
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carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 159968116
heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
CID 160593354
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
pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
CID 160515534

Frequently Asked Questions

What is the IUPAC name of pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate?
The IUPAC name of pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate (CID 11583874) is pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate.
What is the SMILES notation for pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate?
The canonical SMILES for pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate is O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].OO.[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate?
The InChIKey is VAKDYDZRSFIBAM-UHFFFAOYSA-I. The full InChI is InChI=1S/5K.H5O10P3.H2O2/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6;1-2/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6);1-2H/q5*+1;;/p-5.
What are the key properties of pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate?
pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate has a molecular weight of 482.42 g/mol, XLogP of -18.82, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate is sourced from PubChem (CID 11583874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).