potassium (2S,3S)-oxirane-2,3-dicarboxylic acid

C4H4KO5+ — CID 10197893

IUPACpotassium (2S,3S)-oxirane-2,3-dicarboxylic acid
SMILESO=C(O)[C@H]1O[C@@H]1C(=O)O.[K+]
InChIInChI=1S/C4H4O5.K/c5-3(6)1-2(9-1)4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+1/t1-,2-;/m0./s1
InChIKeyQIEFBNVGUPXLFW-YGEZSCCGSA-N
MW171.17 g/mol
LogP-4.07
Rot. Bonds2

About potassium (2S,3S)-oxirane-2,3-dicarboxylic acid

potassium (2S,3S)-oxirane-2,3-dicarboxylic acid (PubChem CID 10197893) has the molecular formula C4H4KO5+ and a molecular weight of 171.17 g/mol. Its IUPAC name is potassium (2S,3S)-oxirane-2,3-dicarboxylic acid.

Molecular Properties

Compound Namepotassium (2S,3S)-oxirane-2,3-dicarboxylic acid
PubChem CID10197893
Molecular FormulaC4H4KO5+
Molecular Weight171.17 g/mol
Exact Mass170.97
IUPAC Namepotassium (2S,3S)-oxirane-2,3-dicarboxylic acid
SMILESO=C(O)[C@H]1O[C@@H]1C(=O)O.[K+]
InChIInChI=1S/C4H4O5.K/c5-3(6)1-2(9-1)4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+1/t1-,2-;/m0./s1
InChIKeyQIEFBNVGUPXLFW-YGEZSCCGSA-N
XLogP-4.07
TPSA87.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 5-4.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium (2S,3S)-oxirane-2,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 173010882
CID 173010882
oxirane-2,3-dicarboxylic acid;palladium
CID 176654589
trisodium;hydride;oxirane-2,3-dicarboxylic acid
CID 175118143
(2S,3S,4R,5S)-oxolane-2,3,4,5-tetracarboxylic acid
CID 98108676
3,4-dihydroxyoxolane-2,5-dicarboxylic acid
CID 24781906
calcium bis((2R,3S)-3-carboxyoxirane-2-carboxylate)
CID 88800397
3-prop-2-enoyloxirane-2-carboxylic acid
CID 141051564
oxolane-2,3,4,5-tetracarboxylic acid;tetrahydrochloride
CID 66750488
(1R,2R,4R,5S)-6,6,7,7-tetrafluoro-3-oxabicyclo[3.2.0]heptane-2,4-dicarboxylic acid
CID 7116348
(4S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 122632722
(3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 89252286
(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 90062883

Frequently Asked Questions

What is the IUPAC name of potassium (2S,3S)-oxirane-2,3-dicarboxylic acid?
The IUPAC name of potassium (2S,3S)-oxirane-2,3-dicarboxylic acid (CID 10197893) is potassium (2S,3S)-oxirane-2,3-dicarboxylic acid.
What is the SMILES notation for potassium (2S,3S)-oxirane-2,3-dicarboxylic acid?
The canonical SMILES for potassium (2S,3S)-oxirane-2,3-dicarboxylic acid is O=C(O)[C@H]1O[C@@H]1C(=O)O.[K+].
What is the InChIKey of potassium (2S,3S)-oxirane-2,3-dicarboxylic acid?
The InChIKey is QIEFBNVGUPXLFW-YGEZSCCGSA-N. The full InChI is InChI=1S/C4H4O5.K/c5-3(6)1-2(9-1)4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+1/t1-,2-;/m0./s1.
What are the key properties of potassium (2S,3S)-oxirane-2,3-dicarboxylic acid?
potassium (2S,3S)-oxirane-2,3-dicarboxylic acid has a molecular weight of 171.17 g/mol, XLogP of -4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S,3S)-oxirane-2,3-dicarboxylic acid is sourced from PubChem (CID 10197893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).