4-dimethoxyphosphoryloxathiolane 2,2-dioxide

C5H11O6PS — CID 156632531

IUPAC4-dimethoxyphosphoryloxathiolane 2,2-dioxide
SMILESCOP(=O)(OC)C1COS(=O)(=O)C1
InChIInChI=1S/C5H11O6PS/c1-9-12(6,10-2)5-3-11-13(7,8)4-5/h5H,3-4H2,1-2H3
InChIKeyMZLDUKCWYWPJKY-UHFFFAOYSA-N
MW230.18 g/mol
LogP0.20
Rot. Bonds3

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 Name4-dimethoxyphosphoryloxathiolane 2,2-dioxide
PubChem CID156632531
Molecular FormulaC5H11O6PS
Molecular Weight230.18 g/mol
Exact Mass230.00
IUPAC Name4-dimethoxyphosphoryloxathiolane 2,2-dioxide
SMILESCOP(=O)(OC)C1COS(=O)(=O)C1
InChIInChI=1S/C5H11O6PS/c1-9-12(6,10-2)5-3-11-13(7,8)4-5/h5H,3-4H2,1-2H3
InChIKeyMZLDUKCWYWPJKY-UHFFFAOYSA-N
XLogP0.20
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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).