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(R)-Glycidyl Tosylate
CAS: 113826-06-5 | C10H12O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
113826-06-5
Molecular Formula:
C10H12O4S
Molecular Mass:
228.27 g/mol
Names and Synonyms:
(R)-Glycidyl Tosylate
2-Oxiranemethanol, 2-(4-methylbenzenesulfonate), (2R)-
Oxiranemethanol, 4-methylbenzenesulfonate, (R)-
Oxiranemethanol, 4-methylbenzenesulfonate, (2R)-
(R)-Glycidyl tosylate
(-)-Glycidyl tosylate
(R)-(-)-Glycidyl p-toluenesulfonate
(R)-Glycidol tosylate
R-(-)-Glycidyl tosylate
(2R)-(-)-Glycidyl tosylate
(R)-Oxiran-2-ylmethyl toluene-4-sulfonate
(R)-(-)-Oxiran-2-ylmethyl 4-methylbenzenesulfonate
(2R)-Glycidyl tosylate
4-Methylbenzyl (2R)-oxiran-2-ylmethanesulfonate
(R)-Oxiran-2-ylmethyl tosylate
[(2R)-Oxiran-2-yl]methyl 4-methylbenzenesulfonate
[(2R)-Oxiran-2-yl]methyl 4-methylbenzene-1-sulfonate
Identifiers:
SMILES:
Cc1ccc(S(=O)(=O)OC[C@H]2CO2)cc1
InChI:
InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-7-9-6-13-9/h2-5,9H,6-7H2,1H3/t9-/m1/s1
Key Properties
Melting Point
45-46 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.27 g/mol | CAS Common Chemistry |
| 228.26899999999998 g/mol | RDKit | |
| 228.045629864 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(OCC1OC1)C2=CC=C(C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-7-9-6-13-9/h2-5,9H,6-7H2,1H3/t9-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NOQXXYIGRPAZJC-SECBINFHSA-N | CAS Common Chemistry |
| Melting Point | 45-46 °C | CAS Common Chemistry |
| Name | (R)-Glycidyl tosylate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.900000000000006 Ų | RDKit |
| LogP | 1.09912 | RDKit |
| Molar Refractivity | 54.05680000000003 | RDKit |
