dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid

C2H6K2O7P2 — CID 71435964

IUPACdipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid
SMILESCC(O)(P(=O)([O-])[O-])P(=O)(O)O.[K+].[K+]
InChIInChI=1S/C2H8O7P2.2K/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2
InChIKeyYGZBDWZUQFVAHU-UHFFFAOYSA-L
MW282.21 g/mol
LogP-8.25
Rot. Bonds2

About dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid

dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid (PubChem CID 71435964) has the molecular formula C2H6K2O7P2 and a molecular weight of 282.21 g/mol. Its IUPAC name is dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid.

Molecular Properties

Compound Namedipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid
PubChem CID71435964
Molecular FormulaC2H6K2O7P2
Molecular Weight282.21 g/mol
Exact Mass281.89
IUPAC Namedipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid
SMILESCC(O)(P(=O)([O-])[O-])P(=O)(O)O.[K+].[K+]
InChIInChI=1S/C2H8O7P2.2K/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2
InChIKeyYGZBDWZUQFVAHU-UHFFFAOYSA-L
XLogP-8.25
TPSA140.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 5-8.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid
CID 173143710
trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid
CID 173043131
dihydroxy(oxo)phosphanium;(1-hydroxy-1-phosphonoethyl)phosphonic acid
CID 88726549
dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid
CID 175317557
disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid
CID 133053613
copper tert-butyl-dioxido-oxo-λ5-phosphane
CID 155673850
butane-2,2,3,3-tetrol;phosphoric acid
CID 172831212
[1-hydroxy-1-[hydroxy(propan-2-yloxy)phosphoryl]ethyl]phosphonic acid
CID 54028975
potassium;dihydrogen phosphate;hexahydrofluoride
CID 172717115
dipotassium;bis(dihydrogen phosphate);phosphoric acid
CID 19756002
potassium;hydrogen phosphate;rubidium(1+)
CID 175565862
(2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid
CID 14325355

Frequently Asked Questions

What is the IUPAC name of dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid?
The IUPAC name of dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid (CID 71435964) is dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid.
What is the SMILES notation for dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid?
The canonical SMILES for dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid is CC(O)(P(=O)([O-])[O-])P(=O)(O)O.[K+].[K+].
What is the InChIKey of dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid?
The InChIKey is YGZBDWZUQFVAHU-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H8O7P2.2K/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2.
What are the key properties of dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid?
dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid has a molecular weight of 282.21 g/mol, XLogP of -8.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(1-hydroxy-1-phosphonatoethyl)phosphonic acid is sourced from PubChem (CID 71435964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).