| CAS Number | 175885-18-4 |
| Catalog Number | AG019E9S(AGN-PC-0QAUHL) |
| Chemical Name | Biotin-peg2-nh-boc |
| IUPAC Name | tert-butyl N-[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]ethyl]carbamate |
| InChI | InChI=1S/C21H38N4O6S/c1-21(2,3)31-20(28)23-9-11-30-13-12-29-10-8-22-17(26)7-5-4-6-16-18-15(14-32-16)24-19(27)25-18/h15-16,18H,4-14H2,1-3H3,(H,22,26)(H,23,28)(H2,24,25,27)/t15-,16-,18-/m0/s1 |
| InChI Key | GCMGCUOONLVCAK-BQFCYCMXSA-N |
| MDL Number | MFCD30527392 |
| Molecular Formula | C21H38N4O6S |
| Molecular Weight | 474.6146 |
| SMILES | C(CCCC(NCCOCCOCCNC(OC(C)(C)C)=O)=O)[C@H]1[C@@]2([C@](CS1)(NC(=O)N2)[H])[H] |
| Synonyms | Biotin-PEG2-NH-Boc,
SCHEMBL269540,
GCMGCUOONLVCAK-BQFCYCMXSA-N,
175885-18-4,
BP-23412,
n-boc-n'-biotinyl-3,6-dioxaoctane-1,8-diamine,
N-Boc-N'-[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-yl]pentanoyl]-3,6-dioxaoctane-1,8-diamine,
tert-Butyl (2-(2-(2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)ethoxy)ethoxy)ethyl)carbamate,
CID10600603,
CID 10600603,
|
| Complexity | 616 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 474.251g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 474.617g/mol |
| Monoisotopic Mass | 474.251g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 152A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number