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127478-74-4 | L-Glutamic acid, N-(1-oxohexadecyl)-, diethyl ester (9CI)
CAS No: 127478-74-4 Catalog No: AG000X49 MDL No:
Product Description
Catalog Number:
AG000X49
Chemical Name:
L-Glutamic acid, N-(1-oxohexadecyl)-, diethyl ester (9CI)
CAS Number:
127478-74-4
Molecular Formula:
C25H47NO5
Molecular Weight:
441.6444
IUPAC Name:
diethyl (2S)-2-(hexadecanoylamino)pentanedioate
InChI:
InChI=1S/C25H47NO5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)26-22(25(29)31-6-3)20-21-24(28)30-5-2/h22H,4-21H2,1-3H3,(H,26,27)/t22-/m0/s1
InChI Key:
PKYNCDQAFVITPJ-QFIPXVFZSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)OCC)CCC(=O)OCC
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
441.345g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
441.653g/mol
Monoisotopic Mass:
441.345g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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