| CAS Number | 2143964-62-7 |
| Catalog Number | AG01EE79 |
| Chemical Name | Biotin-PEG8-acid |
| IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-[2-[5-[(3aS,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| InChI | InChI=1S/C29H53N3O12S/c33-26(4-2-1-3-25-28-24(23-45-25)31-29(36)32-28)30-6-8-38-10-12-40-14-16-42-18-20-44-22-21-43-19-17-41-15-13-39-11-9-37-7-5-27(34)35/h24-25,28H,1-23H2,(H,30,33)(H,34,35)(H2,31,32,36)/t24-,25?,28+/m1/s1 |
| InChI Key | MPJWZTARMHIZLN-CTGOOGPZSA-N |
| MDL Number | MFCD26127802 |
| Molecular Formula | C29H53N3O12S |
| Molecular Weight | 667.8090 |
| SMILES | O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O)=O |
| Synonyms | 2143964-62-7,
Biotin-PEG8-acid,
|
| Complexity | 785 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 667.335g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 45 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 667.812g/mol |
| Monoisotopic Mass | 667.335g/mol |
| Rotatable Bond Count | 32 |
| Topological Polar Surface Area | 207A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number