| CAS Number | 1217733-50-0 |
| Catalog Number | AG00HGEE(AGN-PC-0WBOAQ) |
| Chemical Name | Fmoc-D-2,4-Dinitrophe |
| IUPAC Name | (2R)-3-(2,4-dinitrophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C24H19N3O8/c28-23(29)21(11-14-9-10-15(26(31)32)12-22(14)27(33)34)25-24(30)35-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,12,20-21H,11,13H2,(H,25,30)(H,28,29)/t21-/m1/s1 |
| InChI Key | BBSAAJIMRIRWEU-OAQYLSRUSA-N |
| MDL Number | MFCD08166746 |
| Molecular Formula | C24H19N3O8 |
| Molecular Weight | 477.4230 |
| SMILES | OC(=O)[C@@H](CC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2 |
| Synonyms | Fmoc-D-2,4-Dinitrophe,
Fmoc-D-2,4-dinitrophenylalanine,
1217733-50-0,
MFCD08166746,
ZINC12351531,
PS-12878,
(2R)-3-(2,4-dinitrophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid,
(2R)-3-(2,4-dinitrophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid,
(2R)-3-(2,4-dinitrophenyl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid,
|
| Complexity | 790 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 477.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 477.429g/mol |
| Monoisotopic Mass | 477.117g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 167A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number