dipotassium;trisodium;hydron;triphosphate

H4K2Na3O12P3 — CID 173105953

IUPACdipotassium;trisodium;hydron;triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[H+].[H+].[H+].[H+].[K+].[K+].[Na+].[Na+].[Na+]
InChIInChI=1S/2K.3Na.3H3O4P/c;;;;;3*1-5(2,3)4/h;;;;;3*(H3,1,2,3,4)/q5*+1;;;/p-5
InChIKeyANYUOOCBESEMLY-UHFFFAOYSA-I
MW436.11 g/mol
LogP-23.00
Rot. Bonds

About dipotassium;trisodium;hydron;triphosphate

dipotassium;trisodium;hydron;triphosphate (PubChem CID 173105953) has the molecular formula H4K2Na3O12P3 and a molecular weight of 436.11 g/mol. Its IUPAC name is dipotassium;trisodium;hydron;triphosphate.

Molecular Properties

Compound Namedipotassium;trisodium;hydron;triphosphate
PubChem CID173105953
Molecular FormulaH4K2Na3O12P3
Molecular Weight436.11 g/mol
Exact Mass435.79
IUPAC Namedipotassium;trisodium;hydron;triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[H+].[H+].[H+].[H+].[K+].[K+].[Na+].[Na+].[Na+]
InChIInChI=1S/2K.3Na.3H3O4P/c;;;;;3*1-5(2,3)4/h;;;;;3*(H3,1,2,3,4)/q5*+1;;;/p-5
InChIKeyANYUOOCBESEMLY-UHFFFAOYSA-I
XLogP-23.00
TPSA258.75 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.11
LogP ≤ 5-23.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

potassium;disodium;hydride;hydron;phosphate
CID 173282435
dipotassium;disodium;phosphate
CID 160926550
tetrapotassium;sodium;phosphate
CID 172696103
potassium;azane;hydron;phosphate
CID 173310600
dipotassium diphosphate
CID 18612384
sodium phosphate
CID 21225609
hydron;phosphate
CID 19972274
tripotassium diphosphate
CID 22035217
heptasodium;phosphate
CID 159686031
tripotassium;cerium(3+);diphosphate
CID 133065496
potassium;antimony(3+);phosphate
CID 161486980
sodium;tin(4+);phosphate
CID 160930212

Frequently Asked Questions

What is the IUPAC name of dipotassium;trisodium;hydron;triphosphate?
The IUPAC name of dipotassium;trisodium;hydron;triphosphate (CID 173105953) is dipotassium;trisodium;hydron;triphosphate.
What is the SMILES notation for dipotassium;trisodium;hydron;triphosphate?
The canonical SMILES for dipotassium;trisodium;hydron;triphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[H+].[H+].[H+].[H+].[K+].[K+].[Na+].[Na+].[Na+].
What is the InChIKey of dipotassium;trisodium;hydron;triphosphate?
The InChIKey is ANYUOOCBESEMLY-UHFFFAOYSA-I. The full InChI is InChI=1S/2K.3Na.3H3O4P/c;;;;;3*1-5(2,3)4/h;;;;;3*(H3,1,2,3,4)/q5*+1;;;/p-5.
What are the key properties of dipotassium;trisodium;hydron;triphosphate?
dipotassium;trisodium;hydron;triphosphate has a molecular weight of 436.11 g/mol, XLogP of -23.00, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;trisodium;hydron;triphosphate is sourced from PubChem (CID 173105953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).