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887768-90-3 | L-Aspartic acid, N,N'-1,2-ethanediylbis[N-octyl-
CAS No: 887768-90-3 Catalog No: AG004CZK MDL No:
Product Description
Catalog Number:
AG004CZK
Chemical Name:
L-Aspartic acid, N,N'-1,2-ethanediylbis[N-octyl-
CAS Number:
887768-90-3
Molecular Formula:
C26H48N2O8
Molecular Weight:
516.6679
IUPAC Name:
(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]-octylamino]ethyl-octylamino]butanedioic acid
InChI:
InChI=1S/C26H48N2O8/c1-3-5-7-9-11-13-15-27(21(25(33)34)19-23(29)30)17-18-28(16-14-12-10-8-6-4-2)22(26(35)36)20-24(31)32/h21-22H,3-20H2,1-2H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t21-,22-/m0/s1
InChI Key:
UGHPXMLCOPHDTG-VXKWHMMOSA-N
SMILES:
CCCCCCCCN([C@H](C(=O)O)CC(=O)O)CCN([C@H](C(=O)O)CC(=O)O)CCCCCCCC
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
516.341g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
516.676g/mol
Monoisotopic Mass:
516.341g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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