| CAS Number | 325143-98-4 |
| Catalog Number | AG007FMH(AGN-PC-0R7SZO) |
| Chemical Name | Sulfo-NHS-SS-Biotin (sodium) |
| IUPAC Name | 2,5-dioxo-1-[3-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethyldisulfanyl]propanoyloxy]pyrrolidine-3-sulfonic acid |
| InChI | InChI=1S/C19H28N4O9S4/c24-14(4-2-1-3-12-17-11(10-33-12)21-19(28)22-17)20-6-8-35-34-7-5-16(26)32-23-15(25)9-13(18(23)27)36(29,30)31/h11-13,17H,1-10H2,(H,20,24)(H2,21,22,28)(H,29,30,31) |
| InChI Key | BFGIDNJHOWVNBU-UHFFFAOYSA-N |
| MDL Number | MFCD00078533 |
| Molecular Formula | C19H27N4NaO9S4 |
| Molecular Weight | 606.6889 |
| SMILES | C(ON1C(=O)CC(S(O[Na])(=O)=O)C1=O)(=O)CCSSCCNC(=O)CCCC[C@H]1[C@@]2([H])NC(=O)N[C@@]2([H])CS1 |
| Synonyms | Sulfosuccinimidyl 3-[[2-(Biotinamido)ethyl] dithio]propionate Sodium Salt,
325143-98-4,
AC1MPSPS,
SCHEMBL13714478,
CTK8E9885,
AKOS030242290,
RT-015823,
2,5-dioxo-1-[3-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethyldisulfanyl]propanoyloxy]pyrrolidine-3-sulfonic acid,
CID3390512,
CID 3390512,
|
| Complexity | 975 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 584.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 584.692g/mol |
| Monoisotopic Mass | 584.074g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 273A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number