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88099-35-8 | 6,8,10-Eicosatrienoicacid, 5,12-dihydroxy-, (5S,6E,8E,10Z,12R)-
CAS No: 88099-35-8 Catalog No: AG004J25 MDL No:MFCD00211052
Product Description
Catalog Number:
AG004J25
Chemical Name:
6,8,10-Eicosatrienoicacid, 5,12-dihydroxy-, (5S,6E,8E,10Z,12R)-
CAS Number:
88099-35-8
Molecular Formula:
C20H34O4
Molecular Weight:
338.4816
MDL Number:
MFCD00211052
IUPAC Name:
(5R,6E,8Z,10E,12S)-5,12-dihydroxyicosa-6,8,10-trienoic acid
InChI:
InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,10-11,14-15,18-19,21-22H,2-6,9,12-13,16-17H2,1H3,(H,23,24)/b8-7-,14-10+,15-11+/t18-,19-/m0/s1
InChI Key:
NGTXCORNXNELNU-BOIFFFMUSA-N
SMILES:
CCCCCCCC[C@H](/C=C\C=C\C=C\[C@H](CCCC(=O)O)O)O
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
3
Exact Mass:
338.246g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
338.488g/mol
Monoisotopic Mass:
338.246g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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