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100578-13-0 | D-Glutamic acid, 5-octadecyl ester
CAS No: 100578-13-0 Catalog No: AG0002DZ MDL No:
Product Description
Catalog Number:
AG0002DZ
Chemical Name:
D-Glutamic acid, 5-octadecyl ester
CAS Number:
100578-13-0
Molecular Formula:
C23H44NO4-
Molecular Weight:
398.5998
IUPAC Name:
4-amino-5-octadecan-5-yloxy-5-oxopentanoate
InChI:
InChI=1S/C23H45NO4/c1-3-5-7-8-9-10-11-12-13-14-15-17-20(16-6-4-2)28-23(27)21(24)18-19-22(25)26/h20-21H,3-19,24H2,1-2H3,(H,25,26)/p-1
InChI Key:
HVFXZIGREPBGND-UHFFFAOYSA-M
SMILES:
CCCCC(OC(=O)[C@@H](CCC(=O)[O-])N)CCCCCCCCCCCCC
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.327g/mol
Formal Charge:
-1
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.608g/mol
Monoisotopic Mass:
398.327g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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