potassium phosphonomethylphosphonic acid

CH5KO6P2 — CID 21131092

IUPACpotassium phosphonomethylphosphonic acid
SMILESO=P(O)(O)[CH-]P(=O)(O)O.[K+]
InChIInChI=1S/CH5O6P2.K/c2-8(3,4)1-9(5,6)7;/h1H,(H2,2,3,4)(H2,5,6,7);/q-1;+1
InChIKeyVCWAXVNYVWLBKM-UHFFFAOYSA-N
MW214.09 g/mol
LogP-3.53
Rot. Bonds2

About potassium phosphonomethylphosphonic acid

potassium phosphonomethylphosphonic acid (PubChem CID 21131092) has the molecular formula CH5KO6P2 and a molecular weight of 214.09 g/mol. Its IUPAC name is potassium phosphonomethylphosphonic acid.

Molecular Properties

Compound Namepotassium phosphonomethylphosphonic acid
PubChem CID21131092
Molecular FormulaCH5KO6P2
Molecular Weight214.09 g/mol
Exact Mass213.92
IUPAC Namepotassium phosphonomethylphosphonic acid
SMILESO=P(O)(O)[CH-]P(=O)(O)O.[K+]
InChIInChI=1S/CH5O6P2.K/c2-8(3,4)1-9(5,6)7;/h1H,(H2,2,3,4)(H2,5,6,7);/q-1;+1
InChIKeyVCWAXVNYVWLBKM-UHFFFAOYSA-N
XLogP-3.53
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 5-3.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;hydride;phosphoric acid
CID 174834732
potassium;hydride;phosphoric acid
CID 173080125
dipotassium;hydron;phosphoric acid
CID 173015576
dipotassium;trisodium;phosphoric acid
CID 175728494
potassium;phosphoric acid;iodide
CID 162151776
diazanium;potassium;phosphoric acid;phosphate
CID 172814489
dipotassium;trisodium;hydrogen phosphate;phosphate
CID 22665013
potassium;dihydrogen phosphate;iron(3+);phosphoric acid;phosphate
CID 158840257
potassium;phosphoric acid;fluoride;hydrofluoride
CID 172737762
potassium;hydride;phosphoric acid;hydrate
CID 172999023
dipotassium;hydride;methane;phosphoric acid
CID 173423611
potassium;hydride;phosphoric acid;dihydrofluoride
CID 175199882

Frequently Asked Questions

What is the IUPAC name of potassium phosphonomethylphosphonic acid?
The IUPAC name of potassium phosphonomethylphosphonic acid (CID 21131092) is potassium phosphonomethylphosphonic acid.
What is the SMILES notation for potassium phosphonomethylphosphonic acid?
The canonical SMILES for potassium phosphonomethylphosphonic acid is O=P(O)(O)[CH-]P(=O)(O)O.[K+].
What is the InChIKey of potassium phosphonomethylphosphonic acid?
The InChIKey is VCWAXVNYVWLBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5O6P2.K/c2-8(3,4)1-9(5,6)7;/h1H,(H2,2,3,4)(H2,5,6,7);/q-1;+1.
What are the key properties of potassium phosphonomethylphosphonic acid?
potassium phosphonomethylphosphonic acid has a molecular weight of 214.09 g/mol, XLogP of -3.53, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium phosphonomethylphosphonic acid is sourced from PubChem (CID 21131092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).