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114414-86-7 | D-Alanine, N-(1-oxotetradecyl)-
CAS No: 114414-86-7 Catalog No: AG000BAU MDL No:
Product Description
Catalog Number:
AG000BAU
Chemical Name:
D-Alanine, N-(1-oxotetradecyl)-
CAS Number:
114414-86-7
Molecular Formula:
C17H33NO3
Molecular Weight:
299.4488
IUPAC Name:
(2R)-2-(tetradecanoylamino)propanoic acid
InChI:
InChI=1S/C17H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18-15(2)17(20)21/h15H,3-14H2,1-2H3,(H,18,19)(H,20,21)/t15-/m1/s1
InChI Key:
XDOBXTLSTUFRRP-OAHLLOKOSA-N
SMILES:
CCCCCCCCCCCCCC(=O)N[C@@H](C(=O)O)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
299.246g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.455g/mol
Monoisotopic Mass:
299.246g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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