potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide

H5KNaO11P3 — CID 172800352

IUPACpotassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide
SMILESO=P([O-])(O)OP(=O)(O)OP(=O)(O)O.[K+].[Na+].[OH-]
InChIInChI=1S/K.Na.H5O10P3.H2O/c;;1-11(2,3)9-13(7,8)10-12(4,5)6;/h;;(H,7,8)(H2,1,2,3)(H2,4,5,6);1H2/q2*+1;;/p-2
InChIKeyQTVCVDJEZOKUDH-UHFFFAOYSA-L
MW336.04 g/mol
LogP-7.50
Rot. Bonds4

About potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide

potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide (PubChem CID 172800352) has the molecular formula H5KNaO11P3 and a molecular weight of 336.04 g/mol. Its IUPAC name is potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide.

Molecular Properties

Compound Namepotassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide
PubChem CID172800352
Molecular FormulaH5KNaO11P3
Molecular Weight336.04 g/mol
Exact Mass335.86
IUPAC Namepotassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide
SMILESO=P([O-])(O)OP(=O)(O)OP(=O)(O)O.[K+].[Na+].[OH-]
InChIInChI=1S/K.Na.H5O10P3.H2O/c;;1-11(2,3)9-13(7,8)10-12(4,5)6;/h;;(H,7,8)(H2,1,2,3)(H2,4,5,6);1H2/q2*+1;;/p-2
InChIKeyQTVCVDJEZOKUDH-UHFFFAOYSA-L
XLogP-7.50
TPSA203.65 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.04
LogP ≤ 5-7.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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disodium;diphosphono hydrogen phosphate;hydride
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sodium;azane;phosphono hydrogen phosphate;tetrahydrate
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cesium phosphono hydrogen phosphate
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sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
CID 174910527
CID 170843855
CID 170843855
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
chromium(3+);[hydroxy(oxido)phosphoryl] phosphate;phosphono dihydrogen phosphate
CID 175898917
trilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate
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potassium;sodium;phosphono hydrogen phosphate;acetate
CID 141113302

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide?
The IUPAC name of potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide (CID 172800352) is potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide.
What is the SMILES notation for potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide?
The canonical SMILES for potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide is O=P([O-])(O)OP(=O)(O)OP(=O)(O)O.[K+].[Na+].[OH-].
What is the InChIKey of potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide?
The InChIKey is QTVCVDJEZOKUDH-UHFFFAOYSA-L. The full InChI is InChI=1S/K.Na.H5O10P3.H2O/c;;1-11(2,3)9-13(7,8)10-12(4,5)6;/h;;(H,7,8)(H2,1,2,3)(H2,4,5,6);1H2/q2*+1;;/p-2.
What are the key properties of potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide?
potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide has a molecular weight of 336.04 g/mol, XLogP of -7.50, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide is sourced from PubChem (CID 172800352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).