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121459-06-1 | Eicosanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-
CAS No: 121459-06-1 Catalog No: AG0014ZX MDL No:
Product Description
Catalog Number:
AG0014ZX
Chemical Name:
Eicosanamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-
CAS Number:
121459-06-1
Molecular Formula:
C38H77NO3
Molecular Weight:
596.0229
IUPAC Name:
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]icosanamide
InChI:
InChI=1S/C38H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h36-37,40-41H,3-35H2,1-2H3,(H,39,42)/t36-,37+/m0/s1
InChI Key:
ZWAUSWHRQBSECP-PQQNNWGCSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H](CCCCCCCCCCCCCCC)O)CO
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
595.59g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
596.038g/mol
Monoisotopic Mass:
595.59g/mol
Rotatable Bond Count:
35
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.5
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