(4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate

C6H8O8S2 — CID 146603779

IUPAC(4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate
SMILESCS(=O)(=O)OC1=C(OS(C)(=O)=O)C(=O)OC1
InChIInChI=1S/C6H8O8S2/c1-15(8,9)13-4-3-12-6(7)5(4)14-16(2,10)11/h3H2,1-2H3
InChIKeyREIIQERXCZQGFX-UHFFFAOYSA-N
MW272.26 g/mol
LogP-1.29
Rot. Bonds4

About (4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate

(4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate (PubChem CID 146603779) has the molecular formula C6H8O8S2 and a molecular weight of 272.26 g/mol. Its IUPAC name is (4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate.

Molecular Properties

Compound Name(4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate
PubChem CID146603779
Molecular FormulaC6H8O8S2
Molecular Weight272.26 g/mol
Exact Mass271.97
IUPAC Name(4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate
SMILESCS(=O)(=O)OC1=C(OS(C)(=O)=O)C(=O)OC1
InChIInChI=1S/C6H8O8S2/c1-15(8,9)13-4-3-12-6(7)5(4)14-16(2,10)11/h3H2,1-2H3
InChIKeyREIIQERXCZQGFX-UHFFFAOYSA-N
XLogP-1.29
TPSA113.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate 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 (4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate?
The IUPAC name of (4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate (CID 146603779) is (4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate.
What is the SMILES notation for (4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate?
The canonical SMILES for (4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate is CS(=O)(=O)OC1=C(OS(C)(=O)=O)C(=O)OC1.
What is the InChIKey of (4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate?
The InChIKey is REIIQERXCZQGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O8S2/c1-15(8,9)13-4-3-12-6(7)5(4)14-16(2,10)11/h3H2,1-2H3.
What are the key properties of (4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate?
(4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate has a molecular weight of 272.26 g/mol, XLogP of -1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonyloxy-5-oxo-2H-furan-3-yl) methanesulfonate is sourced from PubChem (CID 146603779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).