| CAS Number | 106451-92-7 |
| Catalog Number | AG0083R5(AGN-PC-0OVZWC) |
| Chemical Name | 6-N-Biotinylaminohexanol |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(6-hydroxyhexyl)pentanamide |
| InChI | InChI=1S/C16H29N3O3S/c20-10-6-2-1-5-9-17-14(21)8-4-3-7-13-15-12(11-23-13)18-16(22)19-15/h12-13,15,20H,1-11H2,(H,17,21)(H2,18,19,22)/t12-,13-,15-/m0/s1 |
| InChI Key | NUCYJOAYBYFSDA-YDHLFZDLSA-N |
| MDL Number | MFCD03788815 |
| Molecular Formula | C16H29N3O3S |
| Molecular Weight | 343.4848 |
| SMILES | OCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |
| Synonyms | 6-N-Biotinylaminohexanol,
106451-92-7,
n-(6-hydroxyhexyl)biotinamide,
SCHEMBL7849030,
NUCYJOAYBYFSDA-YDHLFZDLSA-N,
ZINC6691912,
AKOS026745679,
FT-0663139,
(3aS,4S,6aR)-Hexahydro-N-(6-hydroxyhexyl)-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide,
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| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.193g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.486g/mol |
| Monoisotopic Mass | 343.193g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number