Structure Database (LMSD)
Common Name
5-nonacosylresorcinol
Systematic Name
5-nonacosylbenzene-1,3-diol
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 5-nonacosylresorcinol
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)
OXFCQJVRLYHTFG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C35H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-33-30-34(36)32-35(37)31-33/h30-32,36-37H,2-29H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C=C(O)C=1
References
Calculated Physicochemical Properties
Heavy Atoms
37
Rings
1
Aromatic Rings
1
Rotatable Bonds
28
Van der Waals Molecular Volume
600.46
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
12.19
Molar Refractivity
163.81
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Created at
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Updated at
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