| CAS Number | 1964503-35-2 |
| Catalog Number | AG019E7O |
| Chemical Name | N-Biotin-N-bis(PEG4-acid) |
| IUPAC Name | 3-[2-[2-[2-[2-[5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| InChI | InChI=1S/C32H57N3O14S/c36-28(4-2-1-3-27-31-26(25-50-27)33-32(41)34-31)35(7-11-44-15-19-48-23-21-46-17-13-42-9-5-29(37)38)8-12-45-16-20-49-24-22-47-18-14-43-10-6-30(39)40/h26-27,31H,1-25H2,(H,37,38)(H,39,40)(H2,33,34,41)/t26-,27-,31-/m1/s1 |
| InChI Key | PBACTYCVXZZFPD-MMXANPLTSA-N |
| Molecular Formula | C32H57N3O14S |
| Molecular Weight | 739.8717 |
| SMILES | O=C1N[C@H]2[C@@H](N1)[C@H](SC2)CCCCC(=O)N(CCOCCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCCC(=O)O |
| Synonyms | N-Biotin-N-bis(PEG4-acid),
1964503-35-2,
BP-23278,
|
| Complexity | 895 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 739.356g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 50 |
| Hydrogen Bond Acceptor Count | 15 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 739.875g/mol |
| Monoisotopic Mass | 739.356g/mol |
| Rotatable Bond Count | 35 |
| Topological Polar Surface Area | 235A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number