dipotassium;oxirane-2-carboxylic acid;dihydroxide

C3H6K2O5 — CID 174960947

IUPACdipotassium;oxirane-2-carboxylic acid;dihydroxide
SMILESO=C(O)C1CO1.[K+].[K+].[OH-].[OH-]
InChIInChI=1S/C3H4O3.2K.2H2O/c4-3(5)2-1-6-2;;;;/h2H,1H2,(H,4,5);;;2*1H2/q;2*+1;;/p-2
InChIKeyXCZGOACKIZVJAJ-UHFFFAOYSA-L
MW200.27 g/mol
LogP-6.88
Rot. Bonds1

About dipotassium;oxirane-2-carboxylic acid;dihydroxide

dipotassium;oxirane-2-carboxylic acid;dihydroxide (PubChem CID 174960947) has the molecular formula C3H6K2O5 and a molecular weight of 200.27 g/mol. Its IUPAC name is dipotassium;oxirane-2-carboxylic acid;dihydroxide.

Molecular Properties

Compound Namedipotassium;oxirane-2-carboxylic acid;dihydroxide
PubChem CID174960947
Molecular FormulaC3H6K2O5
Molecular Weight200.27 g/mol
Exact Mass199.95
IUPAC Namedipotassium;oxirane-2-carboxylic acid;dihydroxide
SMILESO=C(O)C1CO1.[K+].[K+].[OH-].[OH-]
InChIInChI=1S/C3H4O3.2K.2H2O/c4-3(5)2-1-6-2;;;;/h2H,1H2,(H,4,5);;;2*1H2/q;2*+1;;/p-2
InChIKeyXCZGOACKIZVJAJ-UHFFFAOYSA-L
XLogP-6.88
TPSA109.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 5-6.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;oxirane-2-carboxylic acid;dihydroxide?
The IUPAC name of dipotassium;oxirane-2-carboxylic acid;dihydroxide (CID 174960947) is dipotassium;oxirane-2-carboxylic acid;dihydroxide.
What is the SMILES notation for dipotassium;oxirane-2-carboxylic acid;dihydroxide?
The canonical SMILES for dipotassium;oxirane-2-carboxylic acid;dihydroxide is O=C(O)C1CO1.[K+].[K+].[OH-].[OH-].
What is the InChIKey of dipotassium;oxirane-2-carboxylic acid;dihydroxide?
The InChIKey is XCZGOACKIZVJAJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H4O3.2K.2H2O/c4-3(5)2-1-6-2;;;;/h2H,1H2,(H,4,5);;;2*1H2/q;2*+1;;/p-2.
What are the key properties of dipotassium;oxirane-2-carboxylic acid;dihydroxide?
dipotassium;oxirane-2-carboxylic acid;dihydroxide has a molecular weight of 200.27 g/mol, XLogP of -6.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;oxirane-2-carboxylic acid;dihydroxide is sourced from PubChem (CID 174960947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).