| CAS Number | 913820-87-8 |
| Catalog Number | AG00H0EC |
| Chemical Name | FMOC-(2R,4S)-PRO(4-F)-OH |
| IUPAC Name | (2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C20H18FNO4/c21-12-9-18(19(23)24)22(10-12)20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18H,9-11H2,(H,23,24)/t12-,18+/m0/s1 |
| InChI Key | CJEQUGHYFSTTQT-KPZWWZAWSA-N |
| MDL Number | MFCD08273756 |
| Molecular Formula | C20H18FNO4 |
| Molecular Weight | 355.3596 |
| SMILES | c1ccc2c(c1)-c3ccccc3C2COC(=O)N4C[C@H](C[C@@H]4C(=O)O)F |
| Synonyms | 913820-87-8,
C20H18FNO4,
Fmoc-Trans-D-4-Fluoro-Pro-OH,
ZINC2573514,
AKOS034812476,
FMOC-(2R,4S)-PRO(4-F)-OH,
FT-0679867,
Z5994,
1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(9H-fluoren-9-ylmethyl) ester, (2R,4S)-,
|
| Complexity | 534 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.365g/mol |
| Monoisotopic Mass | 355.122g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number