| CAS Number | 1620523-64-9 |
| Catalog Number | AG019E2A |
| Chemical Name | Azide-SS-biotin |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(2-azidoethyldisulfanyl)ethyl]pentanamide |
| InChI | InChI=1S/C14H24N6O2S3/c15-20-17-6-8-25-24-7-5-16-12(21)4-2-1-3-11-13-10(9-23-11)18-14(22)19-13/h10-11,13H,1-9H2,(H,16,21)(H2,18,19,22)/t10-,11-,13-/m0/s1 |
| InChI Key | CMWHTSPPRPEKSH-GVXVVHGQSA-N |
| MDL Number | MFCD29042375 |
| Molecular Formula | C14H24N6O2S3 |
| Molecular Weight | 404.5744 |
| SMILES | N(=[N+]=[N-])CCSSCCNC(CCCC[C@@H]1SC[C@@H]2NC(N[C@@H]21)=O)=O |
| Synonyms | Azide-SS-biotin,
SCHEMBL19652354,
BP-22877,
1620523-64-9,
|
| Complexity | 503 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 404.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 404.566g/mol |
| Monoisotopic Mass | 404.112g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 161A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number