| CAS Number | 1163732-89-5 |
| Catalog Number | AG000CC1(AGN-PC-0WR26D) |
| Chemical Name | 1H-Thieno[3,4-d]imidazole-4-pentanamide, N-(17-azido-3,6,9,12,15-pentaoxaheptadec-1-yl)hexahydro-2-oxo-, (3aS,4S,6aR)- |
| 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-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide |
| InChI | InChI=1S/C22H40N6O7S/c23-28-25-6-8-32-10-12-34-14-16-35-15-13-33-11-9-31-7-5-24-20(29)4-2-1-3-19-21-18(17-36-19)26-22(30)27-21/h18-19,21H,1-17H2,(H,24,29)(H2,26,27,30)/t18-,19-,21-/m0/s1 |
| InChI Key | MKXKDMBFPMTVAW-ZJOUEHCJSA-N |
| MDL Number | MFCD22683275 |
| Molecular Formula | C22H40N6O7S |
| Molecular Weight | 532.6540 |
| SMILES | C(CCCC(NCCOCCOCCOCCOCCOCCN=[N+]=[N-])=O)[C@H]1[C@@]2([C@](CS1)(NC(=O)N2)[H])[H] |
| Synonyms | Biotin-PEG5-azide,
(+)-Biotin-PEG5-CH2CH2N3,
1163732-89-5,
BP-21510,
(3aS,6aR)-N-(17-Azido-3,6,9,12,15-pentaoxaheptadecane-1-yl)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-4alpha-pentanamide,
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| Complexity | 671 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 532.268g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 532.657g/mol |
| Monoisotopic Mass | 532.268g/mol |
| Rotatable Bond Count | 23 |
| Topological Polar Surface Area | 156A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number