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Tri-(Propargyl-PEG2-ethoxymethyl)-methane-amido-PEG3-carboxylate

Name: Tri-(Propargyl-PEG2-ethoxymethyl)-methane-amido-PEG3-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

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* Please be kindly noted products are not for therapeutic use. We do not sell to patients.

Purity	98%
IUPAC Name	3-[2-[2-[3-[[1,3-bis[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propoxy]-2-[[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES	C#CCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCC#C)(COCCC(=O)NCCOCCOCC#C)NC(=O)CCOCCOCCOCCC(=O)O
InChI	InChI=1S/C44H72N4O18/c1-4-15-55-26-31-60-23-12-45-39(49)7-19-64-36-44(37-65-20-8-40(50)46-13-24-61-32-27-56-16-5-2,38-66-21-9-41(51)47-14-25-62-33-28-57-17-6-3)48-42(52)10-18-58-29-34-63-35-30-59-22-11-43(53)54/h1-3H,7-38H2,(H,45,49)(H,46,50)(H,47,51)(H,48,52)(H,53,54)
InChIKey	KHUVFVVIOOWNDR-UHFFFAOYSA-N

Storage

-20 °C

XLogP3	-4.8
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	49
Exact Mass	944.48416146 g/mol
Monoisotopic Mass	944.48416146 g/mol
Topological Polar Surface Area	265Å²
Heavy Atom Count	66
Formal Charge	0
Complexity	1300
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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