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28791-69-7 | Hexadecanamide, N-[2-hydroxy-1-(hydroxymethyl)heptadecyl]-
CAS No: 28791-69-7 Catalog No: AG002WHC MDL No:
Product Description
Catalog Number:
AG002WHC
Chemical Name:
Hexadecanamide, N-[2-hydroxy-1-(hydroxymethyl)heptadecyl]-
CAS Number:
28791-69-7
Molecular Formula:
C34H69NO3
Molecular Weight:
539.9166
IUPAC Name:
N-(1,3-dihydroxyoctadecan-2-yl)hexadecanamide
InChI:
InChI=1S/C34H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,36-37H,3-31H2,1-2H3,(H,35,38)
InChI Key:
GCGTXOVNNFGTPQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)NC(C(CCCCCCCCCCCCCCC)O)CO
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
539.528g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
539.93g/mol
Monoisotopic Mass:
539.528g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
13.4
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