Structure Database (LMSD)
Common Name
delta14-10-PhytoF
Systematic Name
(E)-9-hydroxy-9-(4-hydroxy-5-(3-hydroxypent-1-en-1-yl)tetrahydrofuran-2-yl)nonanoic acid
Synonyms
LM ID
LMFA02040004
Formula
Exact Mass
Calculate m/z
344.21989
Sum Composition
Status
Curated
3D model of delta14-10-PhytoF
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
ABMOBHDJIUJCNP-ZHACJKMWSA-N
InChi (Click to copy)
InChI=1S/C18H32O6/c1-2-13(19)10-11-16-15(21)12-17(24-16)14(20)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(C1CC(O)C(/C=C/C(O)CC)O1)O)(=O)O
Other Databases
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
Admin
Created at
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Updated at
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