Structure Database (LMSD)
Common Name
8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoic acid
Systematic Name
8R,9R-epoxy-eicosa-13Z,15Z-dien-4,6-diynoic acid
Synonyms
3D model of 8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
String Representations
InChiKey (Click to copy)
SWRMRPSAQGCYAR-RQUJOCSXSA-N
InChi (Click to copy)
InChI=1S/C18H22O3/c1-2-3-4-5-6-7-10-13-16-17(21-16)14-11-8-9-12-15-18(19)20/h3-6,16-17H,2,7,10,12-13,15H2,1H3,(H,19,20)/b4-3-,6-5-/t16-,17-/m1/s1
SMILES (Click to copy)
C(#CC#C[C@@H]1[C@@H](CCC/C=C\C=C/CC)O1)CCC(O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
315.49
Topological Polar Surface Area
49.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.89
Molar Refractivity
84.53
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Created at
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Updated at
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