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79811-24-8 | L-Glutamic acid,N-(1-oxooctadecyl)-, sodium salt (1:?)
CAS No: 79811-24-8 Catalog No: AG005H8H MDL No:
Product Description
Catalog Number:
AG005H8H
Chemical Name:
L-Glutamic acid,N-(1-oxooctadecyl)-, sodium salt (1:?)
CAS Number:
79811-24-8
Molecular Formula:
C23H42NNaO5
Molecular Weight:
435.5730
IUPAC Name:
sodium;(4S)-4-amino-5-octadecanoyloxy-5-oxopentanoate
InChI:
InChI=1S/C23H43NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-23(28)20(24)18-19-21(25)26;/h20H,2-19,24H2,1H3,(H,25,26);/q;+1/p-1/t20-;/m0./s1
InChI Key:
KDHFCTLPQJQDQI-BDQAORGHSA-M
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC(=O)[C@H](CCC(=O)[O-])N.[Na+]
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
435.296g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
435.581g/mol
Monoisotopic Mass:
435.296g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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