(5Z,9E,11R,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid
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(5Z,9E,11R,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid
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CAS No:
68860-46-8
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Formula:
C20H34O5
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Chemical Name:
(5Z,9E,11R,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid
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Synonyms:
Trioxilin A3;8,11,12-trihydroxy-5,9,14-eicosatrienoic acid;8,11,12-Trihydroxy-5,9,14-icosatrienoic acid;5,9,14-Eicosatrienoic acid, 8,11,12-trihydroxy-;8,11,12-Teta;(5Z,9E,11R,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid
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CAS No:
Description
ChEBI: A trioxilin having (5Z,9E,14Z) double bond configuration; and 8-, (11R)- and (12S)-hydroxy substituents.
Characteristics
98 Ų
1.081±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
564.829±50.00 °C(Press: 760.00 Torr)(predicted)
4.771±0.10(predicted)
Computed Properties
Molecular Weight:354.5
XLogP3:3.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:15
Exact Mass:354.24062418
Monoisotopic Mass:354.24062418
Topological Polar Surface Area:98
Heavy Atom Count:25
Complexity:414
Undefined Atom Stereocenter Count:3
Undefined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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