| CAS Number | 780009-55-4 |
| Catalog Number | AG00ICWR(AGN-PC-0WOJAF) |
| Chemical Name | O-(4,5-Dimethoxy-2-nitrobenzyl)-L-serine |
| IUPAC Name | (2S)-2-amino-3-[(4,5-dimethoxy-2-nitrophenyl)methoxy]propanoic acid |
| InChI | InChI=1S/C12H16N2O7/c1-19-10-3-7(5-21-6-8(13)12(15)16)9(14(17)18)4-11(10)20-2/h3-4,8H,5-6,13H2,1-2H3,(H,15,16)/t8-/m0/s1 |
| InChI Key | HYSPNOMZFGNKBR-QMMMGPOBSA-N |
| MDL Number | MFCD27951979 |
| Molecular Formula | C12H16N2O7 |
| Molecular Weight | 300.2646 |
| SMILES | N[C@H](C(=O)O)COCC1=C(C=C(C(=C1)OC)OC)[N+](=O)[O-] |
| Synonyms | 780009-55-4,
4,5-Dimethoxy-2-nitrobenzyl-L-serine,
(S)-2-Amino-3-(4,5-dimethoxy-2-nitrobenzyloxy)propanoic acid,
4,5-dimethoxy-2-nitro-O-benzyl-L-Serine,
(S)-3-(4,5-DIMETHOXY-2-NITROBENZYLOXY)-2-AMINOPROPANOIC ACID,
SCHEMBL16872808,
MFCD27951979,
ZINC137353545,
BC656360,
(2S)-2-Amino-3-[(2-nitro-4,5-dimethoxybenzyl)oxy]propanoic acid,
ACN-055158,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.267g/mol |
| Monoisotopic Mass | 300.096g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 137A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number