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

C4H4O5 — CID 2734802

IUPAC(2R,3S)-oxirane-2,3-dicarboxylic acid
SMILESO=C(O)[C@H]1O[C@H]1C(=O)O
InChIInChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+
InChIKeyDCEMCPAKSGRHCN-XIXRPRMCSA-N
MW132.07 g/mol
LogP-1.08
Rot. Bonds2

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

(2R,3S)-oxirane-2,3-dicarboxylic acid (PubChem CID 2734802) has the molecular formula C4H4O5 and a molecular weight of 132.07 g/mol. Its IUPAC name is (2R,3S)-oxirane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name(2R,3S)-oxirane-2,3-dicarboxylic acid
PubChem CID2734802
Molecular FormulaC4H4O5
Molecular Weight132.07 g/mol
Exact Mass132.01
IUPAC Name(2R,3S)-oxirane-2,3-dicarboxylic acid
SMILESO=C(O)[C@H]1O[C@H]1C(=O)O
InChIInChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+
InChIKeyDCEMCPAKSGRHCN-XIXRPRMCSA-N
XLogP-1.08
TPSA87.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.07
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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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-oxirane-2,3-dicarboxylic acid?
The IUPAC name of (2R,3S)-oxirane-2,3-dicarboxylic acid (CID 2734802) is (2R,3S)-oxirane-2,3-dicarboxylic acid.
What is the SMILES notation for (2R,3S)-oxirane-2,3-dicarboxylic acid?
The canonical SMILES for (2R,3S)-oxirane-2,3-dicarboxylic acid is O=C(O)[C@H]1O[C@H]1C(=O)O.
What is the InChIKey of (2R,3S)-oxirane-2,3-dicarboxylic acid?
The InChIKey is DCEMCPAKSGRHCN-XIXRPRMCSA-N. The full InChI is InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+.
What are the key properties of (2R,3S)-oxirane-2,3-dicarboxylic acid?
(2R,3S)-oxirane-2,3-dicarboxylic acid has a molecular weight of 132.07 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 (2R,3S)-oxirane-2,3-dicarboxylic acid is sourced from PubChem (CID 2734802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).