[(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate

C5H10O5S — CID 11095253

IUPAC[(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@H]1COC[C@H]1O
InChIInChI=1S/C5H10O5S/c1-11(7,8)10-5-3-9-2-4(5)6/h4-6H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyDHOHYANNTSRCFL-UHNVWZDZSA-N
MW182.20 g/mol
LogP-1.28
Rot. Bonds2

About [(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate

[(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate (PubChem CID 11095253) has the molecular formula C5H10O5S and a molecular weight of 182.20 g/mol. Its IUPAC name is [(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate.

Molecular Properties

Compound Name[(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate
PubChem CID11095253
Molecular FormulaC5H10O5S
Molecular Weight182.20 g/mol
Exact Mass182.02
IUPAC Name[(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@H]1COC[C@H]1O
InChIInChI=1S/C5H10O5S/c1-11(7,8)10-5-3-9-2-4(5)6/h4-6H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyDHOHYANNTSRCFL-UHNVWZDZSA-N
XLogP-1.28
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate?
The IUPAC name of [(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate (CID 11095253) is [(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate.
What is the SMILES notation for [(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate?
The canonical SMILES for [(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate is CS(=O)(=O)O[C@H]1COC[C@H]1O.
What is the InChIKey of [(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate?
The InChIKey is DHOHYANNTSRCFL-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H10O5S/c1-11(7,8)10-5-3-9-2-4(5)6/h4-6H,2-3H2,1H3/t4-,5+/m1/s1.
What are the key properties of [(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate?
[(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate has a molecular weight of 182.20 g/mol, XLogP of -1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-hydroxyoxolan-3-yl] methanesulfonate is sourced from PubChem (CID 11095253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).