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2055022-06-3

2055022-06-3 | TCO-PEG12-DBCO

CAS No: 2055022-06-3 Catalog No: AG01EE73 MDL No:

Product Description

Catalog Number:
AG01EE73
Chemical Name:
TCO-PEG12-DBCO
CAS Number:
2055022-06-3
IUPAC Name:
cyclooct-4-en-1-yl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
InChI:
InChI=1S/C54H81N3O16/c58-52(55-20-18-53(59)57-46-49-12-7-6-10-47(49)16-17-48-11-8-9-15-51(48)57)19-22-61-24-26-63-28-30-65-32-34-67-36-38-69-40-42-71-44-45-72-43-41-70-39-37-68-35-33-66-31-29-64-27-25-62-23-21-56-54(60)73-50-13-4-2-1-3-5-14-50/h1-2,6-12,15,50H,3-5,13-14,18-46H2,(H,55,58)(H,56,60)
InChI Key:
LREIKQBRBHTOTK-UHFFFAOYSA-N

Properties

Complexity:
1500  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1027.562g/mol
Formal Charge:
0
Heavy Atom Count:
73  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
1028.247g/mol
Monoisotopic Mass:
1027.562g/mol
Rotatable Bond Count:
44  
Topological Polar Surface Area:
199A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.3  

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