Structure Database (LMSD)

Common Name
hentriacontanoic acid
Systematic Name
hentriacontanoic acid
Synonyms
  • C31:0
LM ID
LMFA01010031
Status
Active
Exact Mass
Calculate m/z
466.47498
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)
ONLMUMPTRGEPCH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33/h2-30H2,1H3,(H,32,33)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCC(O)=O)CCCCCCCCCCC

References

Other Databases

LIPIDBANK ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 559.80
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 11.40
Molar Refractivity 147.20

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Created at
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Updated at
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