Structure Database (LMSD)
Common Name
5-heptacosylresorcinol
Systematic Name
5-heptacosylbenzene-1,3-diol
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 5-heptacosylresorcinol
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)
LNHZINSBVLHRFL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-28-32(34)30-33(35)29-31/h28-30,34-35H,2-27H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCCCCCCCCCCCCC)C=C(O)C=1
References
Calculated Physicochemical Properties
Heavy Atoms
35
Rings
1
Aromatic Rings
1
Rotatable Bonds
26
Van der Waals Molecular Volume
565.86
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
11.41
Molar Refractivity
154.57
Admin
Created at
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Updated at
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