| CAS Number | 854113-43-2 |
| Catalog Number | AG01DSSJ |
| Chemical Name | (1S,2S,5R)-3-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-azabicyclo[3.1.0]hexane-2-carboxylic acid |
| IUPAC Name | (1S,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid |
| InChI | InChI=1S/C21H19NO4/c23-20(24)19-17-9-12(17)10-22(19)21(25)26-11-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,12,17-19H,9-11H2,(H,23,24)/t12-,17+,19?/m1/s1 |
| InChI Key | BTOGCFAOJIQONJ-UIOJKSJQSA-N |
| MDL Number | MFCD28389220 |
| Molecular Formula | C21H19NO4 |
| Molecular Weight | 349.3799 |
| SMILES | OC([C@@H]1[C@@]2([C@@]([H])(C2)CN1C(OCC3C4=CC=CC=C4C5=CC=CC=C53)=O)[H])=O |
| Synonyms | (1S,2S,5R)-3-{[(9H-fluoren-9-yl)methoxy]carbonyl}-3-azabicyclo[3.1.0]hexane-2-carboxylic acid,
854113-43-2,
FMOC-(R,S)-3,4-CIS-METHANOPROLINE,
1820598-59-1,
|
| Complexity | 571 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.386g/mol |
| Monoisotopic Mass | 349.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number