| CAS Number | 1309649-57-7 |
| Catalog Number | AG00IME9(AGN-PC-0WQUKW) |
| Chemical Name | Biotin-Peg4-Azide |
| 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-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide |
| InChI | InChI=1S/C20H36N6O6S/c21-26-23-6-8-30-10-12-32-14-13-31-11-9-29-7-5-22-18(27)4-2-1-3-17-19-16(15-33-17)24-20(28)25-19/h16-17,19H,1-15H2,(H,22,27)(H2,24,25,28)/t16-,17-,19-/m0/s1 |
| InChI Key | PVEHVEYAPUNCCP-LNLFQRSKSA-N |
| MDL Number | MFCD27977501 |
| Molecular Formula | C20H36N6O6S |
| Molecular Weight | 488.6014 |
| SMILES | O=C(NCCOCCOCCOCCOCCN=[N+]=[N-])CCCC[C@H]1[C@@H](NC(N2)=O)[C@@H]2CS1 |
| Synonyms | Biotin-PEG4-Azide,
1309649-57-7,
BIPG1217,
MFCD27977501,
ZINC96034851,
BP-22119,
B5546,
N-[2-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]biotinamide,
875770-34-6,
|
| Complexity | 624 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 488.242g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 488.604g/mol |
| Monoisotopic Mass | 488.242g/mol |
| Rotatable Bond Count | 20 |
| Topological Polar Surface Area | 147A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number