| CAS Number | 1380782-27-3 |
| Catalog Number | AG01ENG6(AGN-PC-3H45L3) |
| Chemical Name | T2AA |
| IUPAC Name | 4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol |
| InChI | InChI=1S/C15H15I2NO3/c16-13-6-9(5-10(18)8-19)7-14(17)15(13)21-12-3-1-11(20)2-4-12/h1-4,6-7,10,19-20H,5,8,18H2/t10-/m0/s1 |
| InChI Key | NKOSKXJRVWVXRI-JTQLQIEISA-N |
| MDL Number | MFCD30182241 |
| Molecular Formula | C15H15I2NO3 |
| Molecular Weight | 511.0934 |
| SMILES | N[C@@](CC1=CC(=C(OC2=CC=C(C=C2)O)C(=C1)I)I)(C)O |
| Synonyms | T2AA,
CHEMBL2348305,
4-{4-[(2s)-2-Amino-3-Hydroxypropyl]-2,6-Diiodophenoxy}phenol,
1380782-27-3,
SCHEMBL14485381,
NKOSKXJRVWVXRI-JTQLQIEISA-N,
BDBM50431467,
ZINC95605533,
AKOS025142019,
Q27465689,
(?S)-?-Amino-4-(4-hydroxyphenoxy)-3,5-diiodobenzenpropanol,
(S)-4-(4-(2-amino-3-hydroxypropyl)-2,6-diiodophenoxy)phenol,
(S)-3-[4-(4-Hydroxyphenoxy)-3,5-diiodophenyl]-2-aminopropane-1-ol,
T2B,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 510.91414g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 511.09g/mol |
| Monoisotopic Mass | 510.91414g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number