N-(endo-BCN-PEG2-amido-PEG3)-N-bis-(PEG3-Amino-Tri-(Propargyl-PEG2-ethoxymethyl)-methane)

What We Offer

N-(endo-BCN-PEG2-amido-PEG3)-N-bis-(PEG3-Amino-Tri-(Propargyl-PEG2-ethoxymethyl)-methane)

N-(endo-BCN-PEG2-amido-PEG3)-N-bis-(PEG3-Amino-Tri-(Propargyl-PEG2-ethoxymethyl)-methane)

Catelog Number R01-0069
Category Alkynes
Molecular Formula C112H185N11O40
Molecular Weight 2325.8
Catalog Number Size Price Quantity
R01-0069 -- $--

Chemical Information

IUPAC Name [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[3-[2-[2-[2-[2-[bis[2-[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]ethyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate
Canonical SMILES C#CCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCC#C)(COCCC(=O)NCCOCCOCC#C)NC(=O)CCOCCOCCOCCN(CCOCCOCCOCCC(=O)NC(COCCC(=O)NCCOCCOCC#C)(COCCC(=O)NCCOCCOCC#C)COCCC(=O)NCCOCCOCC#C)CCOCCOCCOCCNC(=O)CCOCCOCCNC(=O)OCC1C2C1CCC#CCC2
InChI InChI=1S/C112H185N11O40/c1-7-39-134-65-74-143-54-29-114-102(125)20-48-157-92-111(93-158-49-21-103(126)115-30-55-144-75-66-135-40-8-2,94-159-50-22-104(127)116-31-56-145-76-67-136-41-9-3)121-108(131)26-46-141-72-85-154-88-82-151-62-36-123(38-64-153-84-90-156-87-81-149-60-28-113-101(124)19-45-140-71-80-150-61-35-120-110(133)163-91-100-98-17-15-13-14-16-18-99(98)100)37-63-152-83-89-155-86-73-142-47-27-109(132)122-112(95-160-51-23-105(128)117-32-57-146-77-68-137-42-10-4,96-161-52-24-106(129)118-33-58-147-78-69-138-43-11-5)97-162-53-25-107(130)119-34-59-148-79-70-139-44-12-6/h1-6,98-100H,15-97H2,(H,113,124)(H,114,125)(H,115,126)(H,116,127)(H,117,128)(H,118,129)(H,119,130)(H,120,133)(H,121,131)(H,122,132)/t98-,99+,100?
InChI Key SVXUYMHTZLRTMU-RMEDYJPJSA-N

Product Specification

Storage -20 °C

Computed Properties

XLogP3 -8.2
Hydrogen Bond Donor Count 10
Hydrogen Bond Acceptor Count 41
Rotatable Bond Count 122
Exact Mass 2325.2813846 g/mol
Monoisotopic Mass 2324.2780297 g/mol
Topological Polar Surface Area 571Ų
Heavy Atom Count 163
Formal Charge 0
Complexity 3730
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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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