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122504-71-6 | L-Alanine, 3-(octadecyldithio)- (9CI)
CAS No: 122504-71-6 Catalog No: AG0017BU MDL No:
Product Description
Catalog Number:
AG0017BU
Chemical Name:
L-Alanine, 3-(octadecyldithio)- (9CI)
CAS Number:
122504-71-6
Molecular Formula:
C21H43NO2S2
Molecular Weight:
405.7016
IUPAC Name:
2-amino-3-(octadecyldisulfanyl)propanoic acid
InChI:
InChI=1S/C21H43NO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-26-19-20(22)21(23)24/h20H,2-19,22H2,1H3,(H,23,24)
InChI Key:
QDTOOMQILNVZNJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCSSC[C@@H](C(=O)O)N
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.274g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
405.7g/mol
Monoisotopic Mass:
405.274g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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