Structure Database (LMSD)

Common Name
FAHFA(16:0/8-O-16:0)
Systematic Name
8-hexadecanoyloxy-hexadecanoic acid
Synonyms
  • 8-PAHPA
LM ID
LMFA07090035
Status
Active
Exact Mass
Calculate m/z
510.46481
Formula
Abbrev
Abbrev Chains
FAHFA 16:0/8-O-16:0


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)
JEOXCIJAORYAMX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H62O4/c1-3-5-7-9-11-12-13-14-15-16-17-19-25-29-32(35)36-30(26-22-18-10-8-6-4-2)27-23-20-21-24-28-31(33)34/h30H,3-29H2,1-2H3,(H,33,34)
SMILES (Click to copy)
C(CCCCCC(=O)O)C(OC(CCCCCCCCCCCCCCC)=O)CCCCCCCC

References

Other Databases

HMDB ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 592.04
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 10.84
Molar Refractivity 154.03

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Created at
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Updated at
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