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124099-21-4 | L-Glutamic acid, N-(tribromoacetyl)-, dioctadecyl ester (9CI)
CAS No: 124099-21-4 Catalog No: AG000LKQ MDL No:
Product Description
Catalog Number:
AG000LKQ
Chemical Name:
L-Glutamic acid, N-(tribromoacetyl)-, dioctadecyl ester (9CI)
CAS Number:
124099-21-4
Molecular Formula:
C43H80Br3NO5
Molecular Weight:
930.8110
IUPAC Name:
dioctadecyl 2-[(2,2,2-tribromoacetyl)amino]pentanedioate
InChI:
InChI=1S/C43H80Br3NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-51-40(48)36-35-39(47-42(50)43(44,45)46)41(49)52-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38H2,1-2H3,(H,47,50)
InChI Key:
CYLHRKMRFQFHEN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCCCCCCCCCC)NC(=O)C(Br)(Br)Br
Properties
Complexity:
823
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
929.357g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
930.827g/mol
Monoisotopic Mass:
927.359g/mol
Rotatable Bond Count:
41
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
19.7
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