| CAS Number | 1334172-76-7 |
| Catalog Number | AG00HSWM(AGN-PC-0WGEUM) |
| Chemical Name | alpha-Biotin-omega-amino hepta(ethylene glycol) |
| 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-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide |
| InChI | InChI=1S/C26H50N4O9S/c27-5-7-33-9-11-35-13-15-37-17-19-39-20-18-38-16-14-36-12-10-34-8-6-28-24(31)4-2-1-3-23-25-22(21-40-23)29-26(32)30-25/h22-23,25H,1-21,27H2,(H,28,31)(H2,29,30,32)/t22-,23-,25-/m0/s1 |
| InChI Key | HRGIYGOBSBFLMX-LSQMVHIFSA-N |
| MDL Number | MFCD21363308 |
| Molecular Formula | C26H50N4O9S |
| Molecular Weight | 594.7616 |
| SMILES | O=C(NCCOCCOCCOCCOCCOCCOCCOCCN)CCCC[C@@H]1SC[C@]([C@@]([H])1N2)([H])NC2=O |
| Synonyms | Biotin-PEG7-Amine,
1334172-76-7,
BIPG1212,
ZINC97945840,
BP-21622,
J-006376,
biotin-dpeg(tm)(7)-nh2,
1H-Thieno[3,4-d]imidazole-4-pentanamide, N-(23-amino-3,6,9,12,15,18,21-heptaoxatricos-1-yl)hexahydro-2-oxo-, (3aS,4S,6aR)-,
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| Complexity | 653 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 594.32985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 594.8g/mol |
| Monoisotopic Mass | 594.32985g/mol |
| Rotatable Bond Count | 28 |
| Topological Polar Surface Area | 186Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number