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Home PEG Linkers 1008402-47-8
1008402-47-8,MFCD22683311
Catalog No.:AA0002WT
1008402-47-8 | Bis-mal-peg3
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Technical Information
Catalog Number:
AA0002WT
Chemical Name:
Bis-mal-peg3
CAS Number:
1008402-47-8
Molecular Formula:
C22H30N4O9
Molecular Weight:
494.4950
MDL Number:
MFCD22683311
IUPAC Name:
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]propanamide
InChI:
InChI=1S/C22H30N4O9/c27-17(5-9-25-19(29)1-2-20(25)30)23-7-11-33-13-15-35-16-14-34-12-8-24-18(28)6-10-26-21(31)3-4-22(26)32/h1-4H,5-16H2,(H,23,27)(H,24,28)
InChI Key:
KFEOJIBJOGJZDY-UHFFFAOYSA-N
SMILES:
O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
Properties
Computed Properties
 
Complexity:
752  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.201g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
494.501g/mol
Monoisotopic Mass:
494.201g/mol
Rotatable Bond Count:
18  
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2  

Synonyms
 
Bis-Mal-PEG3 
Mal-NH-PEG3-NH-Mal 
1008402-47-8 
BIPG1241 
ZINC83254005 
BP-20999 
1H-Pyrrole-1-propanamide, N,N'-[oxybis(2,1-ethanediyloxy-2,1-ethanediyl)]bis[2,5-dihydro-2,5-dioxo- 
Literature
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