potassium;sodium;3-oxidooxypropane-1,2-diol;chloride

C3H7ClKNaO4 — CID 173283069

IUPACpotassium;sodium;3-oxidooxypropane-1,2-diol;chloride
SMILES[Cl-].[K+].[Na+].[O-]OCC(O)CO
InChIInChI=1S/C3H8O4.ClH.K.Na/c4-1-3(5)2-7-6;;;/h3-6H,1-2H2;1H;;/q;;2*+1/p-2
InChIKeyWKRKFACJAGHAJQ-UHFFFAOYSA-L
MW204.63 g/mol
LogP-11.36
Rot. Bonds3

About potassium;sodium;3-oxidooxypropane-1,2-diol;chloride

potassium;sodium;3-oxidooxypropane-1,2-diol;chloride (PubChem CID 173283069) has the molecular formula C3H7ClKNaO4 and a molecular weight of 204.63 g/mol. Its IUPAC name is potassium;sodium;3-oxidooxypropane-1,2-diol;chloride.

Molecular Properties

Compound Namepotassium;sodium;3-oxidooxypropane-1,2-diol;chloride
PubChem CID173283069
Molecular FormulaC3H7ClKNaO4
Molecular Weight204.63 g/mol
Exact Mass203.96
IUPAC Namepotassium;sodium;3-oxidooxypropane-1,2-diol;chloride
SMILES[Cl-].[K+].[Na+].[O-]OCC(O)CO
InChIInChI=1S/C3H8O4.ClH.K.Na/c4-1-3(5)2-7-6;;;/h3-6H,1-2H2;1H;;/q;;2*+1/p-2
InChIKeyWKRKFACJAGHAJQ-UHFFFAOYSA-L
XLogP-11.36
TPSA72.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 5-11.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
dipotassium;2,3-dihydroxypropyl phosphate;trihydrate
CID 23617466
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
potassium 2,3-dihydroxypropyl carbonate
CID 174435109
disodium;[(2R)-2,3-dihydroxypropyl] phosphate
CID 73416363
[(2S)-2,3-dihydroxypropyl] phosphate
CID 7048685
sodium 2,3-dihydroxypropyl carbonate
CID 174410448
sodium 2,3-dihydroxypropyl sulfite
CID 174802259
2,3-dihydroxypropyl hypobromite
CID 23618335
2,3-dihydroxypropyl hypochlorite
CID 54142459
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
potassium;propane-1,2,3-triol;bromide
CID 160591555

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;3-oxidooxypropane-1,2-diol;chloride?
The IUPAC name of potassium;sodium;3-oxidooxypropane-1,2-diol;chloride (CID 173283069) is potassium;sodium;3-oxidooxypropane-1,2-diol;chloride.
What is the SMILES notation for potassium;sodium;3-oxidooxypropane-1,2-diol;chloride?
The canonical SMILES for potassium;sodium;3-oxidooxypropane-1,2-diol;chloride is [Cl-].[K+].[Na+].[O-]OCC(O)CO.
What is the InChIKey of potassium;sodium;3-oxidooxypropane-1,2-diol;chloride?
The InChIKey is WKRKFACJAGHAJQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H8O4.ClH.K.Na/c4-1-3(5)2-7-6;;;/h3-6H,1-2H2;1H;;/q;;2*+1/p-2.
What are the key properties of potassium;sodium;3-oxidooxypropane-1,2-diol;chloride?
potassium;sodium;3-oxidooxypropane-1,2-diol;chloride has a molecular weight of 204.63 g/mol, XLogP of -11.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;3-oxidooxypropane-1,2-diol;chloride is sourced from PubChem (CID 173283069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).