oxirane-2,3-disulfonic acid

C2H4O7S2 — CID 57022722

IUPACoxirane-2,3-disulfonic acid
SMILESO=S(=O)(O)C1OC1S(=O)(=O)O
InChIInChI=1S/C2H4O7S2/c3-10(4,5)1-2(9-1)11(6,7)8/h1-2H,(H,3,4,5)(H,6,7,8)
InChIKeyRPTNIESPOSPQIO-UHFFFAOYSA-N
MW204.18 g/mol
LogP-1.56
Rot. Bonds2

About oxirane-2,3-disulfonic acid

oxirane-2,3-disulfonic acid (PubChem CID 57022722) has the molecular formula C2H4O7S2 and a molecular weight of 204.18 g/mol. Its IUPAC name is oxirane-2,3-disulfonic acid.

Molecular Properties

Compound Nameoxirane-2,3-disulfonic acid
PubChem CID57022722
Molecular FormulaC2H4O7S2
Molecular Weight204.18 g/mol
Exact Mass203.94
IUPAC Nameoxirane-2,3-disulfonic acid
SMILESO=S(=O)(O)C1OC1S(=O)(=O)O
InChIInChI=1S/C2H4O7S2/c3-10(4,5)1-2(9-1)11(6,7)8/h1-2H,(H,3,4,5)(H,6,7,8)
InChIKeyRPTNIESPOSPQIO-UHFFFAOYSA-N
XLogP-1.56
TPSA121.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze oxirane-2,3-disulfonic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxirane-2,3-disulfonic acid?
The IUPAC name of oxirane-2,3-disulfonic acid (CID 57022722) is oxirane-2,3-disulfonic acid.
What is the SMILES notation for oxirane-2,3-disulfonic acid?
The canonical SMILES for oxirane-2,3-disulfonic acid is O=S(=O)(O)C1OC1S(=O)(=O)O.
What is the InChIKey of oxirane-2,3-disulfonic acid?
The InChIKey is RPTNIESPOSPQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O7S2/c3-10(4,5)1-2(9-1)11(6,7)8/h1-2H,(H,3,4,5)(H,6,7,8).
What are the key properties of oxirane-2,3-disulfonic acid?
oxirane-2,3-disulfonic acid has a molecular weight of 204.18 g/mol, XLogP of -1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane-2,3-disulfonic acid is sourced from PubChem (CID 57022722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).