Structure Database (LMSD)

Common Name
(6R,9S,12R)-d10-5-IsoF[5S,8R]
Systematic Name
4-((2S,3R,5R)-5-((1S,2Z,4R,6Z)-1,4-dihydroxydodeca-2,6-dien-1-yl)-3-hydroxytetrahydrofuran-2-yl)butanoic acid
Synonyms
LM ID
LMFA03130114
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
370.23554
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)
DCDVQFUNHMSNRJ-MDMKEGRRSA-N
InChi (Click to copy)
1S/C20H34O6/c1-2-3-4-5-6-7-9-15(21)12-13-16(22)19-14-17(23)18(26-19)10-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12-/t15-,16+,17-,18+,19-/m1/s1
SMILES (Click to copy)
C(CCC[C@]1([H])O[C@@]([H])([C@@H](O)/C=C\[C@H](O)C/C=C\CCCCC)C[C@H]1O)(=O)O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 387.02
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 4
Molar Refractivity 102.38

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Created at
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Updated at
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