| CAS Number | 682800-84-6 |
| Catalog Number | AG00IBT5(AGN-PC-0WBO57) |
| Chemical Name | Fmoc-O-trityl-D-threonine |
| IUPAC Name | (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trityloxybutanoic acid |
| InChI | InChI=1S/C38H33NO5/c1-26(44-38(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29)35(36(40)41)39-37(42)43-25-34-32-23-13-11-21-30(32)31-22-12-14-24-33(31)34/h2-24,26,34-35H,25H2,1H3,(H,39,42)(H,40,41)/t26-,35+/m0/s1 |
| InChI Key | JARBLLDDSTVWSM-OSPAZUARSA-N |
| MDL Number | MFCD01631661 |
| Molecular Formula | C38H33NO5 |
| Molecular Weight | 583.6723 |
| SMILES | O=C(N[C@H]([C@@H](OC(c1ccccc1)(c1ccccc1)c1ccccc1)C)C(=O)O)OCC1c2ccccc2c2c1cccc2 |
| Synonyms | Fmoc-D-Thr(Trt)-OH,
682800-84-6,
Fmoc-O-trityl-D-threonine,
6872AH,
MFCD01631661,
AKOS027251032,
ZINC100037253,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-O-trityl-D-threonine,
C38H33NO5,
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| Complexity | 868 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 583.236g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 583.684g/mol |
| Monoisotopic Mass | 583.236g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number