Structure Database (LMSD)

Common Name
delta10-13-PhytoF
Systematic Name
(E)-12-(5-ethyl-4-hydroxytetrahydrofuran-2-yl)-9,12-dihydroxydodec-10-enoic acid
Synonyms
LM ID
LMFA02040001
Status
Active
Exact Mass
Calculate m/z
344.21989
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)
LWIIWULNZCFOCA-ZHACJKMWSA-N
InChi (Click to copy)
InChI=1S/C18H32O6/c1-2-16-15(21)12-17(24-16)14(20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+
SMILES (Click to copy)
C(CCCCCCCC(O)/C=C/C(C1CC(O)C(CC)O1)O)(=O)O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 355.06
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.44
Molar Refractivity 93.24

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Created at
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Updated at
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