| CAS Number | 1217609-84-1 |
| Catalog Number | AG00HGDA(AGN-PC-0WQXEU) |
| Chemical Name | 1-Biotinylamino-3,6,9-trioxaundecane-11-ol |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide |
| InChI | InChI=1S/C18H33N3O6S/c22-6-8-26-10-12-27-11-9-25-7-5-19-16(23)4-2-1-3-15-17-14(13-28-15)20-18(24)21-17/h14-15,17,22H,1-13H2,(H,19,23)(H2,20,21,24)/t14-,15-,17-/m0/s1 |
| InChI Key | ZXIIDTTUJDVFCP-ZOBUZTSGSA-N |
| MDL Number | MFCD03701139 |
| Molecular Formula | C18H33N3O6S |
| Molecular Weight | 419.5361 |
| SMILES | C1(=O)N[C@@]2([H])[C@@H](CCCCC(NCCOCCOCCOCCO)=O)SC[C@@]2([H])N1 |
| Synonyms | Biotin-PEG4-alcohol,
(+)-Biotin-PEG4-OH,
1-Biotinylamino-3,6,9-trioxaundecane-11-ol,
1217609-84-1,
(+)-Biotin-PEG4-alcohol,
BIPG1205,
ZINC6691915,
AKOS027446963,
BP-20650,
|
| Complexity | 471 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 419.209g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 419.537g/mol |
| Monoisotopic Mass | 419.209g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 143A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number