| CAS Number | 596820-83-6 |
| Catalog Number | AG00EGLF(AGN-PC-0ST7H8) |
| Chemical Name | 2,5-Dioxopyrrolidin-1-yl 3-(2-(2-(5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)ethoxy)ethoxy)propanoate |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C21H32N4O8S/c26-16(4-2-1-3-15-20-14(13-34-15)23-21(30)24-20)22-8-10-32-12-11-31-9-7-19(29)33-25-17(27)5-6-18(25)28/h14-15,20H,1-13H2,(H,22,26)(H2,23,24,30)/t14-,15-,20-/m0/s1 |
| InChI Key | UCJSJBIJPAZUGU-AVYPCKFXSA-N |
| MDL Number | MFCD11974976 |
| Molecular Formula | C21H32N4O8S |
| Molecular Weight | 500.5658 |
| SMILES | O=C1NC2CSC(CCCCC(NCCOCCOCCC(ON3C(CCC3=O)=O)=O)=O)C2N1 |
| Synonyms | (+)-Biotin-PEG2-NHS ester,
596820-83-6,
N-Succinimidyl 9-(Biotinamido)-4,7-dioxanonanoate,
Biotin-PEG2-NHS,
Biotin-PEG2-NHS ester,
BIPG1228,
ZINC230494441,
BP-22608,
S0955,
9-(Biotinamido)-4,7-dioxanonanoic Acid N-Succinimidyl Ester,
9-Biotinylamino-4,7-dioxanonanoic acid n-hydroxysuccinimidyl ester,
|
| Complexity | 751 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 500.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 500.567g/mol |
| Monoisotopic Mass | 500.194g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 178A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number