| CAS Number | 808145-87-1 |
| Catalog Number | AG005IPA(AGN-PC-0OIG45) |
| Chemical Name | 7-Methoxy-D-tryptophan |
| IUPAC Name | (2R)-2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid |
| InChI | InChI=1S/C12H14N2O3/c1-17-10-4-2-3-8-7(6-14-11(8)10)5-9(13)12(15)16/h2-4,6,9,14H,5,13H2,1H3,(H,15,16)/t9-/m1/s1 |
| InChI Key | MUZROTSTMQSBFK-SECBINFHSA-N |
| MDL Number | MFCD08437394 |
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.2512 |
| SMILES | N[C@H](CC1=CNC2=C(OC)C=CC=C12)C(O)=O |
| Synonyms | 7-METHOXY-D-TRYPTOPHAN,
808145-87-1,
D-Tryptophan,7-methoxy-,
(R)-2-Amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid,
CTK5E8177,
DTXSID40457291,
ZINC1607321,
DS-13991,
NSC529185,
CID11160647,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.255g/mol |
| Monoisotopic Mass | 234.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number