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80234-65-7 | 8(S),15(S)-DiHETE (Z, E, Z, E)
CAS No: 80234-65-7 Catalog No: AG005C9T MDL No:MFCD00063587
Product Description
Catalog Number:
AG005C9T
Chemical Name:
8(S),15(S)-DiHETE (Z, E, Z, E)
CAS Number:
80234-65-7
Molecular Formula:
C20H32O4
Molecular Weight:
336.4657
MDL Number:
MFCD00063587
IUPAC Name:
(5Z,8S,9E,11Z,13E,15S)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
InChI:
InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-6-,14-9+,15-10+/t18-,19+/m0/s1
InChI Key:
NNPWRKSGORGTIM-HCCKYKKOSA-N
SMILES:
CCCCC[C@@H](/C=C/C=CC=C[C@H](CC=CCCCC(=O)O)O)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
4
Exact Mass:
336.23g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
336.472g/mol
Monoisotopic Mass:
336.23g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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