Biotin-PEG3-NHS ester

• CAS: 1253286-56-4
• Catalog Number: ACM1253286564
• Category: Biotin PEG Linkers
• Molecular Weight: 544.62
• Molecular Formula: C23H36N4O9S
• Synonyms: 2,5-Dioxopyrrolidin-1-yl 14-oxo-18-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-4,7,10-trioxa-13-azaoctadecanoate
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[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]ethoxy]propanoate
• InChI: InChI=1S/C23H36N4O9S/c28-18(4-2-1-3-17-22-16(15-37-17)25-23(32)26-22)24-8-10-34-12-14-35-13-11-33-9-7-21(31)36-27-19(29)5-6-20(27)30/h16-17,22H,1-15H2,(H,24,28)(H2,25,26,32)/t16-,17-,22-/m0/s1
• InChI Key: QIAUJZJSFIYGMH-HOIFWPIMSA-N
• Storage: Keep in dark place, inert atmosphere, store in freezer, under -20°C
• Complexity: 799
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Formal Charge: 0
• H-Bond Acceptor: 10
• H-Bond Donor: 3
• Heavy Atom Count: 37
• Isomeric SMILES: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
• MDL Number: MFCD11974977
• PubChem ID: 77078478
• Pubchem SID: 504772411
• Rotatable Bond Count: 19
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0