TCO-PEG2-sulfo-NHS ester (sodium)

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Catalog Number	CCR380
IUPAC Name	Sodium;1-[3-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
Molecular Weight	528.5
Molecular Formula	C20H29N2NaO11S
Canonical SMILES	C1CC=CCCC(C1)OC(=O)NCCOCCOCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C20H30N2O11S.Na/c23-17-14-16(34(27,28)29)19(25)22(17)33-18(24)8-10-30-12-13-31-11-9-21-20(26)32-15-6-4-2-1-3-5-7-15;/h1-2,15-16H,3-14H2,(H,21,26)(H,27,28,29);/q;+1/p-1/b2-1-;
InChI Key	AKXVBIFAIPPXNU-ODZAUARKSA-M
Application	IEDDA Click Reaction
Complexity	860
Exact Mass	528.13897520
Isomeric SMILES	C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-].[Na+]
Monoisotopic Mass	528.13897520
Topological Polar Surface Area	186Å²

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