[(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate

C6H12O4S — CID 134889885

IUPAC[(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate
SMILESC[C@H]1O[C@H]1[C@@H](C)OS(C)(=O)=O
InChIInChI=1S/C6H12O4S/c1-4-6(9-4)5(2)10-11(3,7)8/h4-6H,1-3H3/t4-,5-,6-/m1/s1
InChIKeyLNFRQUDZSCNRFQ-HSUXUTPPSA-N
MW180.22 g/mol
LogP0.14
Rot. Bonds3

About [(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate

[(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate (PubChem CID 134889885) has the molecular formula C6H12O4S and a molecular weight of 180.22 g/mol. Its IUPAC name is [(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate.

Molecular Properties

Compound Name[(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate
PubChem CID134889885
Molecular FormulaC6H12O4S
Molecular Weight180.22 g/mol
Exact Mass180.05
IUPAC Name[(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate
SMILESC[C@H]1O[C@H]1[C@@H](C)OS(C)(=O)=O
InChIInChI=1S/C6H12O4S/c1-4-6(9-4)5(2)10-11(3,7)8/h4-6H,1-3H3/t4-,5-,6-/m1/s1
InChIKeyLNFRQUDZSCNRFQ-HSUXUTPPSA-N
XLogP0.14
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-Epoxypropyl methanesulphonate
CID 110799
Oxolan-3-yl methanesulfonate
CID 15278452
1,3-Dimethoxypropan-2-yl methanesulfonate
CID 22595786
2-Oxiraneethanol, 2-methanesulfonate, (2R)-
CID 11030184
1-(Oxiran-2-yl)ethyl methanesulfonate
CID 13978132
2-Isopropoxyethyl Methanesulfonate
CID 18465045
2-[(2S)-oxiran-2-yl]ethyl methanesulfonate
CID 12689935
(3,3-Dimethyloxiran-2-yl)methyl methanesulfonate
CID 15483053
[(2R,3R)-3-propyloxiran-2-yl]methyl methanesulfonate
CID 129405843
(S)-glycidyl methanesulfonate
CID 12461090
(R)-glycidyl methanesulfonate
CID 12461091
2-(Oxiran-2-yl)ethyl methanesulfonate
CID 12689934

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate?
The IUPAC name of [(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate (CID 134889885) is [(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate.
What is the SMILES notation for [(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate?
The canonical SMILES for [(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate is C[C@H]1O[C@H]1[C@@H](C)OS(C)(=O)=O.
What is the InChIKey of [(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate?
The InChIKey is LNFRQUDZSCNRFQ-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H12O4S/c1-4-6(9-4)5(2)10-11(3,7)8/h4-6H,1-3H3/t4-,5-,6-/m1/s1.
What are the key properties of [(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate?
[(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate has a molecular weight of 180.22 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2R,3R)-3-methyloxiran-2-yl]ethyl] methanesulfonate is sourced from PubChem (CID 134889885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).