Structure Database (LMSD)

Common Name
13,14-dihydroxy-octadecanoic acid
Systematic Name
13,14-dihydroxy-octadecanoic acid
Synonyms
  • Octadecanoic acid, 13,14-dihydroxy-
LM ID
LMFA01050552
Status
Active
Exact Mass
Calculate m/z
316.26136
Formula
Abbrev


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MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
SXFPGQOZGWIINB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O4/c1-2-3-13-16(19)17(20)14-11-9-7-5-4-6-8-10-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCCCCCCCC(O)C(O)CCCC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 352.48
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.85
Molar Refractivity 90.99

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Created at
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Updated at
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