Structure Database (LMSD)

Common Name
5-n-pentacosylresorcinol
Systematic Name
5-pentacosylbenzene-1,3-diol
Synonyms
LM ID
LMPK15030007
Status
Active
Exact Mass
Calculate m/z
460.42803
Formula


Download as...
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)
GDJMJAKVVSGNLA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h26-28,32-33H,2-25H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCCCCCCCCCCC)C=C(O)C=1

References

Other Databases

HMDB ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 1
Aromatic Rings 1
Rotatable Bonds 24
Van der Waals Molecular Volume 531.26
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 10.63
Molar Refractivity 145.34

Admin

Created at
-
Updated at
-