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139345-11-2 | L-Aspartic acid, N-(3-carboxy-1-oxo-3-sulfopropyl)-N-octadecyl-
CAS No: 139345-11-2 Catalog No: AG001AS7 MDL No:
Product Description
Catalog Number:
AG001AS7
Chemical Name:
L-Aspartic acid, N-(3-carboxy-1-oxo-3-sulfopropyl)-N-octadecyl-
CAS Number:
139345-11-2
Molecular Formula:
C26H47NO10S
Molecular Weight:
565.7171
IUPAC Name:
2-[(3-carboxy-3-sulfopropanoyl)-octadecylamino]butanedioic acid
InChI:
InChI=1S/C26H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(25(31)32)19-24(29)30)23(28)20-22(26(33)34)38(35,36)37/h21-22H,2-20H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36,37)
InChI Key:
YRTAHOYMHHXQPH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN([C@H](C(=O)O)CC(=O)O)C(=O)CC(S(=O)(=O)O)C(=O)O
Properties
Complexity:
809
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
565.292g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
565.719g/mol
Monoisotopic Mass:
565.292g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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