| CAS Number | 104055-39-2 |
| Catalog Number | AG009156(AGN-PC-0OSU4Q) |
| Chemical Name | Boc-aib-osu |
| IUPAC Name | sulfo 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| InChI | InChI=1S/C9H17NO7S/c1-8(2,3)16-7(12)10-9(4,5)6(11)17-18(13,14)15/h1-5H3,(H,10,12)(H,13,14,15) |
| InChI Key | VKOCPCPAMXLHHZ-UHFFFAOYSA-N |
| MDL Number | MFCD00672711 |
| Molecular Formula | C9H17NO7S |
| Molecular Weight | 283.2988 |
| SMILES | CC(C)(C)OC(=O)NC(C)(C)C(=O)OS(O)(=O)=O |
| Synonyms | BOC-AIB-OSU,
104055-39-2,
Boc--Me-Ala-OSu,
Boc-alpha-Me-Ala-OSu,
AC1ODU2P,
C9H17NO7S,
ZINC2567741,
6258AH,
MFCD00672711,
K-0407,
sulfo 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate,
CID7020861,
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-sulfooxycarbonyl-propane,
|
| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.295g/mol |
| Monoisotopic Mass | 283.073g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number