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

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

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

Catalog Number R01-0070
Category Alkynes
Molecular Formula C44H72N4O18
Molecular Weight 945.1
Catalog Number Size Price Quantity
R01-0070 -- $--

Chemical Information

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)
InChI Key KHUVFVVIOOWNDR-UHFFFAOYSA-N

Product Specification

Storage -20 °C

Computed Properties

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 265Ų
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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