Structure Database (LMSD)

Common Name
Eicosanedioic acid
Systematic Name
Eicosanedioic acid
Synonyms
LM ID
LMFA01170035
Formula
Exact Mass
Calculate m/z
342.27701
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
JJOJFIHJIRWASH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
3465
CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 384.44
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.18
Molar Refractivity 98.38

Admin

Created at
-
Updated at
-