| CAS Number | 1262681-31-1 |
| Catalog Number | AG00HRFP(AGN-PC-0WR1B4) |
| Chemical Name | ACetylene-PEG4-biotin conjugate |
| 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-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide |
| InChI | InChI=1S/C21H35N3O6S/c1-2-8-27-10-12-29-14-15-30-13-11-28-9-7-22-19(25)6-4-3-5-18-20-17(16-31-18)23-21(26)24-20/h1,17-18,20H,3-16H2,(H,22,25)(H2,23,24,26)/t17-,18-,20-/m0/s1 |
| InChI Key | SKMJWNZZFUDLKQ-BJLQDIEVSA-N |
| MDL Number | MFCD22380755 |
| Molecular Formula | C21H35N3O6S |
| Molecular Weight | 457.5841 |
| SMILES | C#CCOCCOCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 |
| Synonyms | Acetylene-PEG4-biotin conjugate,
1262681-31-1,
Biotin-PEG4-Alkyne,
SCHEMBL19983140,
MFCD22380755,
ZINC96308774,
AKOS030213694,
BP-22684,
15-[(R)-(+)-Biotinylamino]-4,7,10,13-tetraoxapentadec-1-yne,
|
| Complexity | 585 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 457.225g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 457.586g/mol |
| Monoisotopic Mass | 457.225g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 132A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number