9,12-Octadecadienoic acid (9Z,12Z)-,2-hydroxy-3-[[(9Z)-1-oxo-9-octadecenyl]oxy]propyl ester


Chemical Name: 9,12-Octadecadienoic acid (9Z,12Z)-,2-hydroxy-3-[[(9Z)-1-oxo-9-octadecenyl]oxy]propyl ester
CAS Number: 104346-53-4
Product Number: AG00861R(AGN-PC-0OT8HE)
Synonyms:
MDL No:
Molecular Formula: C39H70O5
Molecular Weight: 618.9701

Identification/Properties


Computed Properties
Molecular Weight:
618.984g/mol
XLogP3:
13.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
35
Exact Mass:
618.522g/mol
Monoisotopic Mass:
618.522g/mol
Topological Polar Surface Area:
72.8A^2
Heavy Atom Count:
44
Formal Charge:
0
Complexity:
711
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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