Methyltetrazine-O-PEG5-NHS ester

• CAS: 1802907-92-1
• Catalog Number: ACM1802907921-1
• Category: NHS Ester PEG Linkers
• Molecular Weight: 533.54
• Molecular Formula: C24H31N5O9
• Synonyms: 2,5-dioxopyrrolidin-1-yl 1-(4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy)-3,6,9,12-tetraoxapentadecan-15-oate
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• InChI: InChI=1S/C24H31N5O9/c1-18-25-27-24(28-26-18)19-2-4-20(5-3-19)37-17-16-36-15-14-35-13-12-34-11-10-33-9-8-23(32)38-29-21(30)6-7-22(29)31/h2-5H,6-17H2,1H3
• InChI Key: SWSUSQWZOPGVKP-UHFFFAOYSA-N
• Appearance: Powder
• Storage: Inert atmosphere, store in freezer, under -20°C
• Complexity: 699
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 899-020-8
• Formal Charge: 0
• H-Bond Acceptor: 13
• H-Bond Donor: 0
• Heavy Atom Count: 38
• Isomeric SMILES: CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O
• MDL Number: MFCD28334559
• PubChem ID: 86580474
• Pubchem SID: 504772500
• Rotatable Bond Count: 19
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0