| CAS Number | 2182601-20-1 |
| Catalog Number | AG019EF9 |
| Chemical Name | Biotin-PEG8-alcohol |
| 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-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide |
| InChI | InChI=1S/C26H49N3O10S/c30-6-8-34-10-12-36-14-16-38-18-20-39-19-17-37-15-13-35-11-9-33-7-5-27-24(31)4-2-1-3-23-25-22(21-40-23)28-26(32)29-25/h22-23,25,30H,1-21H2,(H,27,31)(H2,28,29,32)/t22-,23-,25-/m0/s1 |
| InChI Key | ILFGWYHDBQRANJ-LSQMVHIFSA-N |
| MDL Number | MFCD31380394 |
| Molecular Formula | C26H49N3O10S |
| Molecular Weight | 595.7464 |
| SMILES | O=C(NCCOCCOCCOCCOCCOCCOCCOCCO)CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O |
| Synonyms | Biotin-PEG8-alcohol,
(+)-Biotin-PEG8-OH,
(+)-Biotin-PEG8-alcohol,
BP-23759,
2182601-20-1,
|
| Complexity | 652 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 595.313866g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 595.7g/mol |
| Monoisotopic Mass | 595.313866g/mol |
| Rotatable Bond Count | 28 |
| Topological Polar Surface Area | 180Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number