| CAS Number | 211237-33-1 |
| Catalog Number | AG00BCVE(AGN-PC-0QXP9Q) |
| Chemical Name | BIOTIN-XX-HYDRAZIDE |
| IUPAC Name | 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-(6-hydrazinyl-6-oxohexyl)hexanamide |
| InChI | InChI=1S/C22H40N6O4S/c23-28-20(31)12-4-2-8-14-24-18(29)10-3-1-7-13-25-19(30)11-6-5-9-17-21-16(15-33-17)26-22(32)27-21/h16-17,21H,1-15,23H2,(H,24,29)(H,25,30)(H,28,31)(H2,26,27,32)/t16-,17-,21-/m0/s1 |
| InChI Key | LOIYZIMLLRKKNS-FIKGOQFSSA-N |
| MDL Number | MFCD00065501 |
| Molecular Formula | C22H40N6O4S |
| Molecular Weight | 484.6558 |
| SMILES | O=C(NN)CCCCCNC(CCCCCNC(CCCC[C@@H]1SC[C@@](N2)([H])[C@]1([H])NC2=O)=O)=O |
| Synonyms | Biotin-XX-Hydrazide,
Biotin-XX hydrazide,
LOIYZIMLLRKKNS-FIKGOQFSSA-N,
211237-33-1,
SCHEMBL588741,
ZINC34603374,
J-013863,
6-[[6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4- d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]hexanoic acid hydrazide,
N-(6-hydrazinyl-6-oxohexyl)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahy,
|
| Complexity | 650 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 484.283g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 484.66g/mol |
| Monoisotopic Mass | 484.283g/mol |
| Rotatable Bond Count | 17 |
| 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