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871826-47-0 | 10(S),17(S)-DiHDoHE
CAS No: 871826-47-0 Catalog No: AG004SLB MDL No:MFCD18427937
Product Description
Catalog Number:
AG004SLB
Chemical Name:
10(S),17(S)-DiHDoHE
CAS Number:
871826-47-0
Molecular Formula:
C22H32O4
Molecular Weight:
360.4871
MDL Number:
MFCD18427937
IUPAC Name:
(4Z,7Z,10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
InChI:
InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8-,10-3-,11-6-,17-12+,18-13+/t20-,21-/m0/s1
InChI Key:
CRDZYJSQHCXHEG-XLBFCUQGSA-N
SMILES:
CCC=CC[C@@H](/C=C/C=CC=C[C@H](CC=CCC=CCCC(=O)O)O)O
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
6
Exact Mass:
360.23g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
360.494g/mol
Monoisotopic Mass:
360.23g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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