| CAS Number | 80514-76-7 |
| Catalog Number | AG0052IX(AGN-PC-0OIED5) |
| Chemical Name | Trt-L-Thr-OH Tea |
| IUPAC Name | (2S,3R)-3-hydroxy-2-(tritylamino)butanoic acid |
| InChI | InChI=1S/C23H23NO3/c1-17(25)21(22(26)27)24-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21,24-25H,1H3,(H,26,27)/t17-,21+/m1/s1 |
| InChI Key | CBIIBFYYCAFENA-UTKZUKDTSA-N |
| MDL Number | MFCD01075009 |
| Molecular Formula | C29H38N2O3 |
| Molecular Weight | 462.6236 |
| SMILES | C[C@H]([C@@H](C(=O)O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)O |
| Synonyms | L-Threonine, N-(triphenylmethyl)-,
80514-76-7,
SCHEMBL6746239,
N-(Triphenylmethyl)-L-threonine,
CTK3E5478,
DTXSID00557160,
(3R)-N-Trityl-3-methyl-L-serine,
ZINC34245336,
AKOS030214475,
AJ-87620,
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| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.441g/mol |
| Monoisotopic Mass | 361.168g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number