| CAS Number | 1041766-91-9 |
| Catalog Number | AG008X0J(AGN-PC-05J2GZ) |
| Chemical Name | 1-Biotinylamino-3,6,9-trioxaundecane-11-bromide |
| IUPAC Name | N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide |
| InChI | InChI=1S/C18H32BrN3O5S/c19-5-7-25-9-11-27-12-10-26-8-6-20-16(23)4-2-1-3-15-17-14(13-28-15)21-18(24)22-17/h14-15,17H,1-13H2,(H,20,23)(H2,21,22,24) |
| InChI Key | BBAOPWJWXDYKOL-UHFFFAOYSA-N |
| MDL Number | MFCD03701138 |
| Molecular Formula | C18H32BrN3O5S |
| Molecular Weight | 482.4328 |
| SMILES | BrCCOCCOCCOCCNC(CCCC[C@@H]1SC[C@@H]2NC(N[C@@H]21)=O)=O |
| Synonyms | 1-Biotinylamino-3,6,9-trioxaundecane-11-bromide,
1041766-91-9,
AC1N67C8,
CTK8E6759,
AKOS025294005,
RT-016403,
FT-0663147,
J-001123,
N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide,
CID4255506,
CID 4255506,
|
| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 481.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 482.434g/mol |
| Monoisotopic Mass | 481.125g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 123A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number