Structure Database (LMSD)
Common Name
Thromboxane
Systematic Name
(2R,3S)-3-heptyl-2-octyloxane
Synonyms
3D model of Thromboxane
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
String Representations
InChiKey (Click to copy)
RZWIIPASKMUIAC-VQTJNVASSA-N
InChi (Click to copy)
InChI=1S/C20H40O/c1-3-5-7-9-11-13-17-20-19(16-14-18-21-20)15-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/t19-,20+/m0/s1
SMILES (Click to copy)
O1CCC[C@@H]([C@H]1CCCCCCCC)CCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
350.99
Topological Polar Surface Area
11.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
7.46
Molar Refractivity
94.84
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Created at
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Updated at
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