[(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate

C7H12O5S — CID 23256085

IUPAC[(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate
SMILESC[C@H]1C[C@@H](COS(C)(=O)=O)OC1=O
InChIInChI=1S/C7H12O5S/c1-5-3-6(12-7(5)8)4-11-13(2,9)10/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyWUCZOMDYUFBFDM-WDSKDSINSA-N
MW208.23 g/mol
LogP-0.09
Rot. Bonds3

About [(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate

[(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate (PubChem CID 23256085) has the molecular formula C7H12O5S and a molecular weight of 208.23 g/mol. Its IUPAC name is [(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate
PubChem CID23256085
Molecular FormulaC7H12O5S
Molecular Weight208.23 g/mol
Exact Mass208.04
IUPAC Name[(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate
SMILESC[C@H]1C[C@@H](COS(C)(=O)=O)OC1=O
InChIInChI=1S/C7H12O5S/c1-5-3-6(12-7(5)8)4-11-13(2,9)10/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyWUCZOMDYUFBFDM-WDSKDSINSA-N
XLogP-0.09
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Mldjsygjhdyobb-uhfffaoysa-
CID 13594219
(5S)-Dihydro-5-[[(methylsulfonyl)oxy]methyl]-2(3H)-furanone
CID 13594220
(R)-5-[(methanesulphonyloxy)methyl]-2-oxo-tetrahydrofuran
CID 13594221
(3,3-Dimethyl-5-oxooxolan-2-yl)methyl methanesulfonate
CID 54435098
3-[(2-Methyl-5-oxooxolan-2-yl)methoxysulfonyl]propane-1-sulfinate
CID 117745579
[(2S,4R)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate
CID 23256082

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate?
The IUPAC name of [(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate (CID 23256085) is [(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate.
What is the SMILES notation for [(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate?
The canonical SMILES for [(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate is C[C@H]1C[C@@H](COS(C)(=O)=O)OC1=O.
What is the InChIKey of [(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate?
The InChIKey is WUCZOMDYUFBFDM-WDSKDSINSA-N. The full InChI is InChI=1S/C7H12O5S/c1-5-3-6(12-7(5)8)4-11-13(2,9)10/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of [(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate?
[(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate has a molecular weight of 208.23 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-methyl-5-oxooxolan-2-yl]methyl methanesulfonate is sourced from PubChem (CID 23256085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).