Structure Database (LMSD)

Common Name
5-nonacosylresorcinol
Systematic Name
5-nonacosylbenzene-1,3-diol
Synonyms
LM ID
LMPK15030014
Status
Active
Exact Mass
Calculate m/z
516.49063
Formula


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
OXFCQJVRLYHTFG-UHFFFAOYSA-N
InChi (Click to copy)
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

Other Databases

PubChem CID

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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Updated at
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