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125401-64-1 | L-Glutamic acid, N-(3-carboxy-1-oxopropyl)-, 1,5-dioctadecyl ester
CAS No: 125401-64-1 Catalog No: AG000NN6 MDL No:
Product Description
Catalog Number:
AG000NN6
Chemical Name:
L-Glutamic acid, N-(3-carboxy-1-oxopropyl)-, 1,5-dioctadecyl ester
CAS Number:
125401-64-1
Molecular Formula:
C45H85NO7
Molecular Weight:
752.1589
IUPAC Name:
4-[(1,5-dioctadecoxy-1,5-dioxopentan-2-yl)amino]-4-oxobutanoic acid
InChI:
InChI=1S/C45H85NO7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-52-44(50)38-35-41(46-42(47)36-37-43(48)49)45(51)53-40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41H,3-40H2,1-2H3,(H,46,47)(H,48,49)
InChI Key:
UBJQZCBPVOAIHW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCCCCCCCCCC)NC(=O)CCC(=O)O
Properties
Complexity:
849
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
751.633g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
752.175g/mol
Monoisotopic Mass:
751.633g/mol
Rotatable Bond Count:
44
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
16.8
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