Biotin-PEG4-NHS ester

• Catalog Number: ACM459426223
• Product Name: Biotin-PEG4-NHS ester
• CAS: 459426-22-3
• Category: NHS Ester PEG Linkers
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[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]ethoxy]propanoate
• Molecular Weight: 588.7g/mol
• Molecular Formula: C25H40N4O10S
• Canonical SMILES: C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3
• InChI: InChI=1S/C25H40N4O10S/c30-20(4-2-1-3-19-24-18(17-40-19)27-25(34)28-24)26-8-10-36-12-14-38-16-15-37-13-11-35-9-7-23(33)39-29-21(31)5-6-22(29)32/h18-19,24H,1-17H2,(H,26,30)(H2,27,28,34)/t18-,19-,24-/m0/s1
• InChI Key: DTLVBHCSSNJCMJ-JXQFQVJHSA-N
• Complexity: 848
• Covalently-Bonded Unit Count: 1
• Exact Mass: 588.246515g/mol
• Formal Charge: 0
• H-Bond Acceptor: 11
• H-Bond Donor: 3
• Heavy Atom Count: 40
• Monoisotopic Mass: 588.246515g/mol
• Rotatable Bond Count: 22
• XLogP3: -1.6