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259134-51-5 | L-Aspartic acid, N,N'-1,2-ethanediylbis[N-(1-oxododecyl)- (9CI)
CAS No: 259134-51-5 Catalog No: AG002R0C MDL No:
Product Description
Catalog Number:
AG002R0C
Chemical Name:
L-Aspartic acid, N,N'-1,2-ethanediylbis[N-(1-oxododecyl)- (9CI)
CAS Number:
259134-51-5
Molecular Formula:
C34H60N2O10
Molecular Weight:
656.8476
IUPAC Name:
(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]-dodecanoylamino]ethyl-dodecanoylamino]butanedioic acid
InChI:
InChI=1S/C34H60N2O10/c1-3-5-7-9-11-13-15-17-19-21-29(37)35(27(33(43)44)25-31(39)40)23-24-36(28(34(45)46)26-32(41)42)30(38)22-20-18-16-14-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)/t27-,28-/m0/s1
InChI Key:
MACKCACYHYCZEH-NSOVKSMOSA-N
SMILES:
CCCCCCCCCCCC(=O)N([C@H](C(=O)O)CC(=O)O)CCN([C@H](C(=O)O)CC(=O)O)C(=O)CCCCCCCCCCC
Properties
Complexity:
838
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
656.425g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
656.858g/mol
Monoisotopic Mass:
656.425g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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