| CAS Number | 1989638-24-5 |
| Catalog Number | AG01B6A2 |
| Chemical Name | Methyl (R)-2-(((Benzyloxy)Carbonyl)Amino)-3-(Chlorosulfonyl)Propanoate |
| IUPAC Name | 3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propane-1-sulfonic acid |
| InChI | InChI=1S/C12H15NO7S/c1-19-11(14)10(8-21(16,17)18)13-12(15)20-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,15)(H,16,17,18) |
| InChI Key | ZOYDVTMNUKPKQP-UHFFFAOYSA-N |
| MDL Number | MFCD30342787 |
| Molecular Formula | C12H14ClNO6S |
| Molecular Weight | 335.7607 |
| SMILES | COC([C@@H](NC(OCC1=CC=CC=C1)=O)CS(Cl)(=O)=O)=O |
| Synonyms | Methyl 2-{[(benzyloxy)carbonyl]amino}-3-sulfopropanoate,
methyl (2R)-2-{[(benzyloxy)carbonyl]amino}-3-sulfopropanoate,
1989638-24-5,
2089684-52-4,
|
| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.312g/mol |
| Monoisotopic Mass | 317.057g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number