Structure Database (LMSD)

Common Name
Japanic acid
Systematic Name
Heneicosa-1,21-dioic acid
Synonyms
  • Heneicosanedioic acid
  • Japonic acid
LM ID
LMFA01170036
Status
Active
Exact Mass
Calculate m/z
356.29266
Formula
Abbrev


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)
PWLXTFFHCFWCGG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H40O4/c22-20(23)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(24)25/h1-19H2,(H,22,23)(H,24,25)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
3998
CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 401.74
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.57
Molar Refractivity 102.99

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Created at
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Updated at
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