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113841-05-7 | Nonanamide, N,N',N'',N''',N'''',N'''''-1,2,3,4,5,6-benzenehexaylhexakis-
CAS No: 113841-05-7 Catalog No: AG0009U5 MDL No:
Product Description
Catalog Number:
AG0009U5
Chemical Name:
Nonanamide, N,N',N'',N''',N'''',N'''''-1,2,3,4,5,6-benzenehexaylhexakis-
CAS Number:
113841-05-7
Molecular Formula:
C60H108N6O6
Molecular Weight:
1009.5361
IUPAC Name:
N-[2,3,4,5,6-pentakis(nonanoylamino)phenyl]nonanamide
InChI:
InChI=1S/C60H108N6O6/c1-7-13-19-25-31-37-43-49(67)61-55-56(62-50(68)44-38-32-26-20-14-8-2)58(64-52(70)46-40-34-28-22-16-10-4)60(66-54(72)48-42-36-30-24-18-12-6)59(65-53(71)47-41-35-29-23-17-11-5)57(55)63-51(69)45-39-33-27-21-15-9-3/h7-48H2,1-6H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)(H,65,71)(H,66,72)
InChI Key:
BCKBIKFNWHXALH-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)Nc1c(NC(=O)CCCCCCCC)c(NC(=O)CCCCCCCC)c(c(c1NC(=O)CCCCCCCC)NC(=O)CCCCCCCC)NC(=O)CCCCCCCC
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1008.833g/mol
Formal Charge:
0
Heavy Atom Count:
72
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
1009.56g/mol
Monoisotopic Mass:
1008.833g/mol
Rotatable Bond Count:
48
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.2
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