| CAS Number | 1011268-28-2 |
| Catalog Number | AG019E1L |
| Chemical Name | Alkynyl-biotin |
| IUPAC Name | N-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethyl]hex-5-ynamide |
| InChI | InChI=1S/C22H36N4O5S/c1-2-3-4-8-19(27)23-10-12-30-14-15-31-13-11-24-20(28)9-6-5-7-18-21-17(16-32-18)25-22(29)26-21/h1,17-18,21H,3-16H2,(H,23,27)(H,24,28)(H2,25,26,29)/t17-,18-,21-/m0/s1 |
| InChI Key | BMIRHLAYBWVOOC-WFXMLNOXSA-N |
| MDL Number | MFCD28505539 |
| Molecular Formula | C22H36N4O5S |
| Molecular Weight | 468.61 |
| SMILES | O=C1N[C@]2([H])[C@H](CCCCC(NCCOCCOCCNC(CCCC#C)=O)=O)SC[C@]2([H])N1 |
| Synonyms | Biotin-PEG2-C4-Alkyne,
ZINC230491995,
BP-22693,
1011268-28-2,
|
| Complexity | 654 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 468.241g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 468.613g/mol |
| Monoisotopic Mass | 468.241g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 143A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number