[(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate

C5H8O6S — CID 15045099

IUPAC[(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@H]1C(=O)OC[C@H]1O
InChIInChI=1S/C5H8O6S/c1-12(8,9)11-4-3(6)2-10-5(4)7/h3-4,6H,2H2,1H3/t3-,4-/m1/s1
InChIKeyQPEBEYGYACUMAD-QWWZWVQMSA-N
MW196.18 g/mol
LogP-1.75
Rot. Bonds2

About [(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate

[(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate (PubChem CID 15045099) has the molecular formula C5H8O6S and a molecular weight of 196.18 g/mol. Its IUPAC name is [(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate.

Molecular Properties

Compound Name[(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate
PubChem CID15045099
Molecular FormulaC5H8O6S
Molecular Weight196.18 g/mol
Exact Mass196.00
IUPAC Name[(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@H]1C(=O)OC[C@H]1O
InChIInChI=1S/C5H8O6S/c1-12(8,9)11-4-3(6)2-10-5(4)7/h3-4,6H,2H2,1H3/t3-,4-/m1/s1
InChIKeyQPEBEYGYACUMAD-QWWZWVQMSA-N
XLogP-1.75
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate?
The IUPAC name of [(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate (CID 15045099) is [(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate.
What is the SMILES notation for [(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate?
The canonical SMILES for [(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate is CS(=O)(=O)O[C@H]1C(=O)OC[C@H]1O.
What is the InChIKey of [(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate?
The InChIKey is QPEBEYGYACUMAD-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H8O6S/c1-12(8,9)11-4-3(6)2-10-5(4)7/h3-4,6H,2H2,1H3/t3-,4-/m1/s1.
What are the key properties of [(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate?
[(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate has a molecular weight of 196.18 g/mol, XLogP of -1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-hydroxy-2-oxooxolan-3-yl] methanesulfonate is sourced from PubChem (CID 15045099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).