tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate

K4Na2O13P4 — CID 174864856

IUPACtetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[Na+].[Na+]
InChIInChI=1S/4K.2Na.H6O13P4/c;;;;;;1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h;;;;;;(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)/q6*+1;/p-6
InChIKeySNGXHWPHHZPESN-UHFFFAOYSA-H
MW534.26 g/mol
LogP-22.35
Rot. Bonds6

About tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate

tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate (PubChem CID 174864856) has the molecular formula K4Na2O13P4 and a molecular weight of 534.26 g/mol. Its IUPAC name is tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate.

Molecular Properties

Compound Nametetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
PubChem CID174864856
Molecular FormulaK4Na2O13P4
Molecular Weight534.26 g/mol
Exact Mass533.66
IUPAC Nametetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[Na+].[Na+]
InChIInChI=1S/4K.2Na.H6O13P4/c;;;;;;1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h;;;;;;(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)/q6*+1;/p-6
InChIKeySNGXHWPHHZPESN-UHFFFAOYSA-H
XLogP-22.35
TPSA234.33 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.26
LogP ≤ 5-22.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride
CID 173238390
pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 173412939
heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
CID 160593354
pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11583874
trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 173241012
carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 159968116
aluminum;lead(2+);[oxido(phosphonatooxy)phosphoryl] phosphate
CID 174925900
tetracalcium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 161067553
pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11523702
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 tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
The IUPAC name of tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate (CID 174864856) is tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate.
What is the SMILES notation for tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
The canonical SMILES for tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate is O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[Na+].[Na+].
What is the InChIKey of tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
The InChIKey is SNGXHWPHHZPESN-UHFFFAOYSA-H. The full InChI is InChI=1S/4K.2Na.H6O13P4/c;;;;;;1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h;;;;;;(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)/q6*+1;/p-6.
What are the key properties of tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate has a molecular weight of 534.26 g/mol, XLogP of -22.35, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate is sourced from PubChem (CID 174864856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).