Structure Database (LMSD)
Common Name
(13Z,15R,18R)-15-hydroxy-18-bromo-13,16,17-octadecatrienoic acid
Systematic Name
15R-hydroxy-18R-bromo-13Z,16,17-octadecatrienoic acid
Synonyms
LM ID
LMFA01090159
Formula
C18H29O3Br
Exact Mass
Calculate m/z
372.130006
Status
Active
3D model of (13Z,15R,18R)-15-hydroxy-18-bromo-13,16,17-octadecatrienoic acid
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)
SDLIXPWBLXJLCF-BAVFYMBESA-N
InChi (Click to copy)
InChI=1S/C18H29BrO3/c19-16-12-14-17(20)13-10-8-6-4-2-1-3-5-7-9-11-15-18(21)22/h10,13-14,16-17,20H,1-9,11,15H2,(H,21,22)/b13-10-/t12-,17+/m0/s1
SMILES (Click to copy)
C(CCCCCCCCCCC/C=C\[C@@H](O)C([H])=[C@]=C([H])Br)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
355.05
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.63
Molar Refractivity
95.66
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Created at
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Updated at
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