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833484-10-9 | Hexadecanoic acid, 9-[(3-ethoxy-1,3-dioxopropyl)amino]-16-hydroxy-
CAS No: 833484-10-9 Catalog No: AG004W7O MDL No:
Product Description
Catalog Number:
AG004W7O
Chemical Name:
Hexadecanoic acid, 9-[(3-ethoxy-1,3-dioxopropyl)amino]-16-hydroxy-
CAS Number:
833484-10-9
Molecular Formula:
C21H39NO6
Molecular Weight:
401.5375
IUPAC Name:
9-[(3-ethoxy-3-oxopropanoyl)amino]-16-hydroxyhexadecanoic acid
InChI:
InChI=1S/C21H39NO6/c1-2-28-21(27)17-19(24)22-18(14-10-6-4-8-12-16-23)13-9-5-3-7-11-15-20(25)26/h18,23H,2-17H2,1H3,(H,22,24)(H,25,26)
InChI Key:
UVOAIGCWBYXARH-UHFFFAOYSA-N
SMILES:
OCCCCCCCC(NC(=O)CC(=O)OCC)CCCCCCCC(=O)O
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.278g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
401.544g/mol
Monoisotopic Mass:
401.278g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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