| CAS Number | 40631-95-6 |
| Catalog Number | AG0076A5(AGN-PC-0ROL0I) |
| Chemical Name | 3-O-Methylsulfonyl-d-glucopyranose |
| IUPAC Name | [(3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] methanesulfonate |
| InChI | InChI=1S/C7H14O8S/c1-16(12,13)15-6-4(9)3(2-8)14-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7?/m1/s1 |
| InChI Key | SRRSBHCHONHCPP-QTSLKERKSA-N |
| MDL Number | MFCD06657649 |
| Molecular Formula | C7H14O8S |
| Molecular Weight | 258.2463 |
| SMILES | CS(=O)(=O)O[C@@H]1[C@@H](O)C(O)O[C@H](CO)[C@H]1O |
| Synonyms | 40631-95-6,
3-O-METHYLSULFONYL-D-GLUCOPYRANOSE,
3-O-Methanesulfonyl-D-glucopyranose,
D-Glucose,3-methanesulfonate,
CTK4I3473,
DTXSID20721962,
(3R,4S,5R,6R)-2,3,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl methanesulfonate,
AKOS027439519,
3-O-(Methanesulfonyl)-D-glucopyranose,
K-8666,
W-202668,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.241g/mol |
| Monoisotopic Mass | 258.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 142A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number