| CAS Number | 1313390-76-9 |
| Catalog Number | AG00HSFN(AGN-PC-0WR0IK) |
| Chemical Name | (2S,4R)-Fmoc-4-phenoxypyrrolidine-2-carboxylic acid |
| IUPAC Name | (2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenoxypyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C26H23NO5/c28-25(29)24-14-18(32-17-8-2-1-3-9-17)15-27(24)26(30)31-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23-24H,14-16H2,(H,28,29)/t18-,24+/m1/s1 |
| InChI Key | DGFDLAYDYAXDTJ-KOSHJBKYSA-N |
| MDL Number | MFCD11226821 |
| Molecular Formula | C26H23NO5 |
| Molecular Weight | 429.4645 |
| SMILES | C(OC(=O)N1[C@H](C(O)=O)C[C@@H](OC2=CC=CC=C2)C1)C3C=4C(C=5C3=CC=CC5)=CC=CC4 |
| Synonyms | (2S,4R)-Fmoc-4-phenoxy-pyrrolidine-2-carboxylic acid,
1313390-76-9,
MFCD11226821,
ZINC39959781,
|
| Complexity | 655 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 429.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 429.472g/mol |
| Monoisotopic Mass | 429.158g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number