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73354-06-0 | Docosanamide, N-[2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl]-
CAS No: 73354-06-0 Catalog No: AG005EMS MDL No:
Product Description
Catalog Number:
AG005EMS
Chemical Name:
Docosanamide, N-[2-hydroxy-1-(hydroxymethyl)-3-heptadecenyl]-
CAS Number:
73354-06-0
Molecular Formula:
C40H79NO3
Molecular Weight:
622.0602
IUPAC Name:
N-(1,3-dihydroxyoctadec-4-en-2-yl)docosanamide
InChI:
InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,38-39,42-43H,3-32,34,36-37H2,1-2H3,(H,41,44)
InChI Key:
KEPQASGDXIEOIL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)NC(C(C=CCCCCCCCCCCCCC)O)CO
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
621.606g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
622.076g/mol
Monoisotopic Mass:
621.606g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
16.1
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