| CAS Number | 102507-16-4 |
| Catalog Number | AG01DLFR(AGN-PC-0ORM3V) |
| Chemical Name | (2S,3S)-2-((Tert-butoxycarbonyl)amino)-3-hydroxy-4-methylpentanoic acid |
| IUPAC Name | (2S,3S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid |
| InChI | InChI=1S/C11H21NO5/c1-6(2)8(13)7(9(14)15)12-10(16)17-11(3,4)5/h6-8,13H,1-5H3,(H,12,16)(H,14,15)/t7-,8-/m0/s1 |
| InChI Key | ISRKGGQOVLQWDW-YUMQZZPRSA-N |
| MDL Number | MFCD25541908 |
| Molecular Formula | C11H21NO5 |
| Molecular Weight | 247.2881 |
| SMILES | CC(C)[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(O)=O |
| Synonyms | (2S,3S)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-HYDROXY-4-METHYLPENTANOIC ACID,
102507-16-4,
929198-85-6,
BOC-(2R,3S)-2-AMINO-3-HYDROXY-4-METHYLPENTANOICACID,
SCHEMBL5612287,
MFCD25541908,
ZINC38528928,
AKOS027328367,
FCH4043106,
AS-30749,
AX8266409,
X-2595,
102507-17-5,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.291g/mol |
| Monoisotopic Mass | 247.142g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number