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125401-63-0 | L-Glutamic acid, N-(3-carboxy-1-oxopropyl)-, 1,5-dihexadecyl ester
CAS No: 125401-63-0 Catalog No: AG000NN7 MDL No:
Product Description
Catalog Number:
AG000NN7
Chemical Name:
L-Glutamic acid, N-(3-carboxy-1-oxopropyl)-, 1,5-dihexadecyl ester
CAS Number:
125401-63-0
Molecular Formula:
C41H77NO7
Molecular Weight:
696.0526
IUPAC Name:
4-[[(2S)-1,5-dihexadecoxy-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C41H77NO7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-48-40(46)34-31-37(42-38(43)32-33-39(44)45)41(47)49-36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,42,43)(H,44,45)/t37-/m0/s1
InChI Key:
WTBOZUQAGVMYTM-QNGWXLTQSA-N
SMILES:
CCCCCCCCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCCCCCCCC)NC(=O)CCC(=O)O
Properties
Complexity:
788
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
695.57g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
696.067g/mol
Monoisotopic Mass:
695.57g/mol
Rotatable Bond Count:
40
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.6
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