Structure Database (LMSD)
Common Name
5-iodo-4-hydroxy-docosa-7Z,10Z,13Z,16Z,19Z-pentaenoic acid delta lactone
Systematic Name
5-iodo-7Z,10Z,13Z,16Z,19Z-docosapentaen-4-olide
Synonyms
LM ID
LMFA04000081
Formula
C22H31IO2
Exact Mass
Calculate m/z
454.136882
Status
Active
3D model of 5-iodo-4-hydroxy-docosa-7Z,10Z,13Z,16Z,19Z-pentaenoic acid delta lactone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
JVGLFGABRWZJME-JLNKQSITSA-N
InChi (Click to copy)
InChI=1S/C22H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22(24)25-21/h3-4,6-7,9-10,12-13,15-16,20-21H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)C(I)C1CCC(=O)O1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
403.82
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
7.21
Molar Refractivity
117.02
Admin
Created at
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Updated at
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