Structure Database (LMSD)

Common Name
10S,11S-epoxy-9S-hydroxy-12Z-octadecenoic acid
Systematic Name
10S,11S-epoxy-9S-hydroxy-12Z-octadecenoic acid
Synonyms
LM ID
LMFA02000010
Status
Active
Exact Mass
Calculate m/z
312.23006
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)
NFFSPFJIYOTZQX-ZSNSXZSMSA-N
InChi (Click to copy)
InChI=1S/C18H32O4/c1-2-3-4-6-10-13-16-18(22-16)15(19)12-9-7-5-8-11-14-17(20)21/h10,13,15-16,18-19H,2-9,11-12,14H2,1H3,(H,20,21)/b13-10-/t15-,16-,18-/m0/s1
SMILES (Click to copy)
C(CCCCCCC[C@H](O)[C@@H]1O[C@H]1/C=C\CCCCC)(=O)O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 337.48
Topological Polar Surface Area 70.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.93
Molar Refractivity 89.44

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Updated at
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