8-iso Prostaglandin A1


Chemical Name: 8-iso Prostaglandin A1
CAS Number: 211186-29-7
Product Number: AG00BE99(AGN-PC-0WAI94)
Synonyms:
MDL No:
Molecular Formula: C20H32O4
Molecular Weight: 336.4657

Identification/Properties


Computed Properties
Molecular Weight:
336.472g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
13
Exact Mass:
336.23g/mol
Monoisotopic Mass:
336.23g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
439
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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