| CAS Number | 2222687-71-8 |
| Catalog Number | AG01EE6Y |
| Chemical Name | Biotin-PEG4-Picolyl azide |
| IUPAC Name | imino-[[5-[3-[2-[2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]pyridin-2-yl]methylimino]azanium |
| InChI | InChI=1S/C27H42N8O7S/c28-35-31-18-20-5-6-21(17-30-20)32-25(37)7-9-39-11-13-41-15-16-42-14-12-40-10-8-29-24(36)4-2-1-3-23-26-22(19-43-23)33-27(38)34-26/h5-6,17,22-23,26,28H,1-4,7-16,18-19H2,(H3-,29,32,33,34,36,37,38)/p+1 |
| InChI Key | CELOISJOTXQCGT-UHFFFAOYSA-O |
| MDL Number | MFCD29052186 |
| Molecular Formula | C27H42N8O7S |
| Molecular Weight | 622.7368 |
| SMILES | C(NC1=CC=C(CN=[N+]=[N-])N=C1)(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]1[C@@]2([H])NC(=O)N[C@@]2([H])CS1 |
| Synonyms | |
| Complexity | 897 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 623.297542g/mol |
| Formal Charge | 1 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 623.7g/mol |
| Monoisotopic Mass | 623.297542g/mol |
| Rotatable Bond Count | 23 |
| Topological Polar Surface Area | 212Ų |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
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