| CAS Number | 189209-28-7 |
| Catalog Number | AG019E9O(AGN-PC-0QILI8) |
| Chemical Name | 1,1-Dimethylethyl 25-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-21-oxo-5,8,11,14,17-pentaoxa-2,20-diazapentacosanoate |
| IUPAC Name | tert-butyl N-[2-[2-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| InChI | InChI=1S/C27H50N4O9S/c1-27(2,3)40-26(34)29-9-11-36-13-15-38-17-19-39-18-16-37-14-12-35-10-8-28-23(32)7-5-4-6-22-24-21(20-41-22)30-25(33)31-24/h21-22,24H,4-20H2,1-3H3,(H,28,32)(H,29,34)(H2,30,31,33)/t21-,22-,24-/m0/s1 |
| InChI Key | RDDPDJYPEFICFA-FIXSFTCYSA-N |
| MDL Number | MFCD30527395 |
| Molecular Formula | C27H50N4O9S |
| Molecular Weight | 606.7723 |
| SMILES | O=C1N[C@H]2[C@@H](N1)CS[C@H]2CCCCC(NCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)=O |
| Synonyms | Biotin-PEG5-NH-Boc,
189209-28-7,
BP-23408,
|
| Complexity | 757 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 606.33g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 606.776g/mol |
| Monoisotopic Mass | 606.33g/mol |
| Rotatable Bond Count | 25 |
| Topological Polar Surface Area | 180A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number