dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid

CH4K2O7P2 — CID 155666645

IUPACdipotassium;[hydroxy(phosphonato)methyl]phosphonic acid
SMILESO=P([O-])([O-])C(O)P(=O)(O)O.[K+].[K+]
InChIInChI=1S/CH6O7P2.2K/c2-1(9(3,4)5)10(6,7)8;;/h1-2H,(H2,3,4,5)(H2,6,7,8);;/q;2*+1/p-2
InChIKeyCRQLTTXTGGUTRW-UHFFFAOYSA-L
MW268.18 g/mol
LogP-8.64
Rot. Bonds2

About dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid

dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid (PubChem CID 155666645) has the molecular formula CH4K2O7P2 and a molecular weight of 268.18 g/mol. Its IUPAC name is dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid.

Molecular Properties

Compound Namedipotassium;[hydroxy(phosphonato)methyl]phosphonic acid
PubChem CID155666645
Molecular FormulaCH4K2O7P2
Molecular Weight268.18 g/mol
Exact Mass267.87
IUPAC Namedipotassium;[hydroxy(phosphonato)methyl]phosphonic acid
SMILESO=P([O-])([O-])C(O)P(=O)(O)O.[K+].[K+]
InChIInChI=1S/CH6O7P2.2K/c2-1(9(3,4)5)10(6,7)8;;/h1-2H,(H2,3,4,5)(H2,6,7,8);;/q;2*+1/p-2
InChIKeyCRQLTTXTGGUTRW-UHFFFAOYSA-L
XLogP-8.64
TPSA140.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 5-8.64
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

dipotassium;1-phosphonatoethanol
CID 22352114
dipotassium;2,3-dihydroxybutanedioic acid;hydrogen phosphate
CID 158028853
potassium;dihydrogen phosphate;2-hydroxypropanoic acid
CID 174779739
calcium;copper;hydrogen phosphate
CID 14367930
dihydroxymethylphosphonic acid
CID 13034651
dipotassium;bis(dihydrogen phosphate);phosphoric acid
CID 19756002
potassium;dihydrogen phosphate;hexahydrofluoride
CID 172717115
potassium;hydrogen phosphate;rubidium(1+)
CID 175565862
2-hydroxy-2-phosphonoacetate
CID 23615312
bis([hydroxy(phosphonato)methyl]-methoxyphosphinate);tris(lead(2+))
CID 173412535
sodium [hydroxy(phosphono)methyl]-(trichloromethoxy)phosphinate
CID 23704268
trisodium;2-hydroxy-2-phosphonatoacetate
CID 13034655

Frequently Asked Questions

What is the IUPAC name of dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid?
The IUPAC name of dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid (CID 155666645) is dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid.
What is the SMILES notation for dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid?
The canonical SMILES for dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid is O=P([O-])([O-])C(O)P(=O)(O)O.[K+].[K+].
What is the InChIKey of dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid?
The InChIKey is CRQLTTXTGGUTRW-UHFFFAOYSA-L. The full InChI is InChI=1S/CH6O7P2.2K/c2-1(9(3,4)5)10(6,7)8;;/h1-2H,(H2,3,4,5)(H2,6,7,8);;/q;2*+1/p-2.
What are the key properties of dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid?
dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid has a molecular weight of 268.18 g/mol, XLogP of -8.64, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;[hydroxy(phosphonato)methyl]phosphonic acid is sourced from PubChem (CID 155666645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).