Structure Database (LMSD)

Common Name
9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid
Systematic Name
9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid
Synonyms
LM ID
LMFA02000160
Status
Active
Exact Mass
Calculate m/z
346.23554
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)
OMGHMRGMXCUWQA-BUHFOSPRSA-N
InChi (Click to copy)
InChI=1S/C18H34O6/c1-2-3-7-10-15(24-23)13-14-17(20)16(19)11-8-5-4-6-9-12-18(21)22/h13-17,19-20,23H,2-12H2,1H3,(H,21,22)/b14-13+
SMILES (Click to copy)
C(O)(/C=C/C(OO)CCCCC)C(O)CCCCCCCC(=O)O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 367.42
Topological Polar Surface Area 107.22
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 4.55
Molar Refractivity 94.15

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Updated at
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