Structure Database (LMSD)
Common Name
(8R,12S,15S)-d9-11-IsoF[11S,14R]
Systematic Name
(R,5Z,9E)-8-hydroxy-10-((2S,3S,5R)-3-hydroxy-5-((S)-1-hydroxyhexyl)tetrahydrofuran-2-yl)deca-5,9-dienoic acid
Synonyms
LM ID
LMFA03130214
Formula
Exact Mass
Calculate m/z
370.23554
Sum Composition
Status
Active (generated by computational methods)
3D model of (8R,12S,15S)-d9-11-IsoF[11S,14R]
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)
IDPHQPFMXGIJHP-HOJKLPIESA-N
InChi (Click to copy)
InChI=1S/C20H34O6/c1-2-3-6-10-16(22)19-14-17(23)18(26-19)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18+,19-/m1/s1
SMILES (Click to copy)
C(CCC/C=C\C[C@@H](O)/C=C/[C@]1([H])O[C@@]([H])([C@@H](O)CCCCC)C[C@@H]1O)(=O)O
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
Admin
Created at
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Updated at
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