Structure Database (LMSD)
Common Name
16,17-DiHDPE
Systematic Name
(+/-)-16,17-dihydroxy-4Z,7Z,10Z,13Z,19Z-docosapentaenoic acid
Synonyms
LM ID
LMFA04000042
Formula
Exact Mass
Calculate m/z
362.24571
Sum Composition
Status
Active
3D model of 16,17-DiHDPE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
YXQCSWUATWXVGK-ZYADFMMDSA-N
InChi (Click to copy)
InChI=1S/C22H34O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,11-15,20-21,23-24H,2,4,9-10,16-19H2,1H3,(H,25,26)/b7-5-,8-6-,13-11-,14-3-,15-12-
SMILES (Click to copy)
C(CC/C=C\C/C=C\C/C=C\C/C=C\CC(O)C(O)C/C=C\CC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
408.48
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
5.29
Molar Refractivity
108.98
Admin
Created at
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Updated at
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