Structure Database (LMSD)

Common Name
FAHFA(18:0/11-O-18:0)
Systematic Name
11-octadecanoyloxy-octadecanoic acid
Synonyms
  • 11-SAHSA
LM ID
LMFA07090014
Status
Active
Exact Mass
Calculate m/z
566.52741
Formula
Abbrev
Abbrev Chains
FAHFA 18:0/11-O-18:0


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)
NYMRYXUNFHXRMB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C36H70O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-25-29-33-36(39)40-34(30-26-22-8-6-4-2)31-27-23-19-18-20-24-28-32-35(37)38/h34H,3-33H2,1-2H3,(H,37,38)
SMILES (Click to copy)
C(CCCCCCCCC(=O)O)C(OC(CCCCCCCCCCCCCCCCC)=O)CCCCCCC

References

Other Databases

HMDB ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 661.24
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 12.40
Molar Refractivity 172.50

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Created at
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Updated at
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