4-dimethoxyphosphoryloxathiolane 2,2-dioxide

C₅H₁₁O₆PS — CID 156632531

About 4-dimethoxyphosphoryloxathiolane 2,2-dioxide

4-dimethoxyphosphoryloxathiolane 2,2-dioxide (PubChem CID 156632531) has the molecular formula C₅H₁₁O₆PS and a molecular weight of 230.18 g/mol. Its IUPAC name is 4-dimethoxyphosphoryloxathiolane 2,2-dioxide.

Molecular Properties

• Compound Name: 4-dimethoxyphosphoryloxathiolane 2,2-dioxide
• PubChem CID: 156632531
• Molecular Formula: C₅H₁₁O₆PS
• Molecular Weight: 230.18 g/mol
• Exact Mass: 230.00
• IUPAC Name: 4-dimethoxyphosphoryloxathiolane 2,2-dioxide
• SMILES: COP(=O)(OC)C1COS(=O)(=O)C1
• InChI: InChI=1S/C5H11O6PS/c1-9-12(6,10-2)5-3-11-13(7,8)4-5/h5H,3-4H2,1-2H3
• InChIKey: MZLDUKCWYWPJKY-UHFFFAOYSA-N
• XLogP: 0.20
• TPSA: 78.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	230.18
LogP ≤ 5	0.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-dimethoxyphosphoryloxathiolane 2,2-dioxide?

The IUPAC name of 4-dimethoxyphosphoryloxathiolane 2,2-dioxide (CID 156632531) is 4-dimethoxyphosphoryloxathiolane 2,2-dioxide.

What is the SMILES notation for 4-dimethoxyphosphoryloxathiolane 2,2-dioxide?

The canonical SMILES for 4-dimethoxyphosphoryloxathiolane 2,2-dioxide is COP(=O)(OC)C1COS(=O)(=O)C1.

What is the InChIKey of 4-dimethoxyphosphoryloxathiolane 2,2-dioxide?

The InChIKey is MZLDUKCWYWPJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O6PS/c1-9-12(6,10-2)5-3-11-13(7,8)4-5/h5H,3-4H2,1-2H3.

What are the key properties of 4-dimethoxyphosphoryloxathiolane 2,2-dioxide?

4-dimethoxyphosphoryloxathiolane 2,2-dioxide has a molecular weight of 230.18 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dimethoxyphosphoryloxathiolane 2,2-dioxide is sourced from PubChem (CID 156632531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156632531 — identifiers, structure, computed properties (public domain)

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