| CAS Number | 113072-75-6 |
| Catalog Number | AG00HCGT(AGN-PC-0P4CT8) |
| Chemical Name | 1H-Thieno[3,4-d]imidazole-4-pentanamide,N-(17-amino-3,6,9,12,15-pentaoxaheptadec-1-yl)hexahydro-2-oxo-,[3aS-(3aa,4b,6aa)]- |
| 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-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide |
| InChI | InChI=1S/C22H42N4O7S/c23-5-7-29-9-11-31-13-15-33-16-14-32-12-10-30-8-6-24-20(27)4-2-1-3-19-21-18(17-34-19)25-22(28)26-21/h18-19,21H,1-17,23H2,(H,24,27)(H2,25,26,28)/t18-,19-,21-/m0/s1 |
| InChI Key | BYKYZTMBWRTPIJ-ZJOUEHCJSA-N |
| MDL Number | MFCD22574819 |
| Molecular Formula | C22H42N4O7S |
| Molecular Weight | 506.6565 |
| SMILES | NCCOCCOCCOCCOCCOCCNC(CCCC[C@@H]1SC[C@@H]2NC(N[C@@H]21)=O)=O |
| Synonyms | Biotin-PEG5-Amine,
113072-75-6,
BIPG1210,
(+)-Biotin-PEG5-CH2CH2NH2,
ZINC83254120,
BP-20688,
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| Complexity | 561 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 506.277g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 506.659g/mol |
| Monoisotopic Mass | 506.277g/mol |
| Rotatable Bond Count | 22 |
| Topological Polar Surface Area | 168A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number