[(3R)-2-oxooxolan-3-yl] methanesulfonate

C5H8O5S — CID 11423928

IUPAC[(3R)-2-oxooxolan-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1CCOC1=O
InChIInChI=1S/C5H8O5S/c1-11(7,8)10-4-2-3-9-5(4)6/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyHAYCJJXWGKFZTP-SCSAIBSYSA-N
MW180.18 g/mol
LogP-0.72
Rot. Bonds2

About [(3R)-2-oxooxolan-3-yl] methanesulfonate

[(3R)-2-oxooxolan-3-yl] methanesulfonate (PubChem CID 11423928) has the molecular formula C5H8O5S and a molecular weight of 180.18 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] methanesulfonate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] methanesulfonate
PubChem CID11423928
Molecular FormulaC5H8O5S
Molecular Weight180.18 g/mol
Exact Mass180.01
IUPAC Name[(3R)-2-oxooxolan-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1CCOC1=O
InChIInChI=1S/C5H8O5S/c1-11(7,8)10-4-2-3-9-5(4)6/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyHAYCJJXWGKFZTP-SCSAIBSYSA-N
XLogP-0.72
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3R)-2-oxooxolan-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 [(3R)-2-oxooxolan-3-yl] methanesulfonate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] methanesulfonate (CID 11423928) is [(3R)-2-oxooxolan-3-yl] methanesulfonate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] methanesulfonate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] methanesulfonate is CS(=O)(=O)O[C@@H]1CCOC1=O.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] methanesulfonate?
The InChIKey is HAYCJJXWGKFZTP-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8O5S/c1-11(7,8)10-4-2-3-9-5(4)6/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] methanesulfonate?
[(3R)-2-oxooxolan-3-yl] methanesulfonate has a molecular weight of 180.18 g/mol, XLogP of -0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] methanesulfonate is sourced from PubChem (CID 11423928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).