| CAS Number | 1212211-21-6 |
| Catalog Number | AG009BIV(AGN-PC-0WR1TI) |
| Chemical Name | rel-Diexo-3-(9-h-fluoren-9-ylmethoxycarbonylamino)-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid |
| IUPAC Name | (1R,2S,3R,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| InChI | InChI=1S/C22H21NO5/c24-21(25)19-17-9-10-18(28-17)20(19)23-22(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-20H,9-11H2,(H,23,26)(H,24,25)/t17-,18+,19-,20+/m1/s1 |
| InChI Key | ZDGWFBWXFWDVGM-WCIQWLHISA-N |
| MDL Number | MFCD08751320 |
| Molecular Formula | C22H21NO5 |
| Molecular Weight | 379.4058 |
| SMILES | OC([C@H]1[C@H]2O[C@H](CC2)[C@H]1NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)=O |
| Synonyms | 1212211-21-6,
diexo-3-(9-H-Fluoren-9-ylmethoxycarbonylamino)-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid,
MFCD08751320,
ZINC32099056,
AB48878,
T6310,
ZDGWFBWXFWDVGM-WCIQWLHISA-N,
3-(9H-fluoren-9-ylmethoxycarbonylamino)-7-oxabicyclo[2.2.1]h,
|
| Complexity | 602 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.412g/mol |
| Monoisotopic Mass | 379.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number