oxirane-2,3-dicarboxylic acid;palladium

C4H4O5Pd — CID 176654589

IUPACoxirane-2,3-dicarboxylic acid;palladium
SMILESO=C(O)C1OC1C(=O)O.[Pd]
InChIInChI=1S/C4H4O5.Pd/c5-3(6)1-2(9-1)4(7)8;/h1-2H,(H,5,6)(H,7,8);
InChIKeyRDUZPCNYDSUKMV-UHFFFAOYSA-N
MW238.49 g/mol
LogP-1.08
Rot. Bonds2

About oxirane-2,3-dicarboxylic acid;palladium

oxirane-2,3-dicarboxylic acid;palladium (PubChem CID 176654589) has the molecular formula C4H4O5Pd and a molecular weight of 238.49 g/mol. Its IUPAC name is oxirane-2,3-dicarboxylic acid;palladium.

Molecular Properties

Compound Nameoxirane-2,3-dicarboxylic acid;palladium
PubChem CID176654589
Molecular FormulaC4H4O5Pd
Molecular Weight238.49 g/mol
Exact Mass237.91
IUPAC Nameoxirane-2,3-dicarboxylic acid;palladium
SMILESO=C(O)C1OC1C(=O)O.[Pd]
InChIInChI=1S/C4H4O5.Pd/c5-3(6)1-2(9-1)4(7)8;/h1-2H,(H,5,6)(H,7,8);
InChIKeyRDUZPCNYDSUKMV-UHFFFAOYSA-N
XLogP-1.08
TPSA87.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.49
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 173010882
CID 173010882
potassium (2S,3S)-oxirane-2,3-dicarboxylic acid
CID 10197893
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
(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 90062883
(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

Frequently Asked Questions

What is the IUPAC name of oxirane-2,3-dicarboxylic acid;palladium?
The IUPAC name of oxirane-2,3-dicarboxylic acid;palladium (CID 176654589) is oxirane-2,3-dicarboxylic acid;palladium.
What is the SMILES notation for oxirane-2,3-dicarboxylic acid;palladium?
The canonical SMILES for oxirane-2,3-dicarboxylic acid;palladium is O=C(O)C1OC1C(=O)O.[Pd].
What is the InChIKey of oxirane-2,3-dicarboxylic acid;palladium?
The InChIKey is RDUZPCNYDSUKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O5.Pd/c5-3(6)1-2(9-1)4(7)8;/h1-2H,(H,5,6)(H,7,8);.
What are the key properties of oxirane-2,3-dicarboxylic acid;palladium?
oxirane-2,3-dicarboxylic acid;palladium has a molecular weight of 238.49 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane-2,3-dicarboxylic acid;palladium is sourced from PubChem (CID 176654589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).