Structure Database (LMSD)
Common Name
Thromboxanoic acid skeleton
Systematic Name
Synonyms
LM ID
LMFA03030000
Status
Active
3D model of Thromboxanoic acid skeleton
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
IHBMLJMSJCVQNY-FTEYMNFISA-N
InChi (Click to copy)
InChI=1S/C20H36O4/c1-2-3-4-5-6-10-13-17-16(18-15-20(23-17)24-18)12-9-7-8-11-14-19(21)22/h16-18,20H,2-15H2,1H3,(H,21,22)/t16-,17-,18+,20-/m1/s1
SMILES (Click to copy)
C1[C@@H]2O[C@H]1O[C@H](CCCCCCCC)[C@H]2CCCCCCC(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
3
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
358.56
Topological Polar Surface Area
59.90
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
6.15
Molar Refractivity
96.51
Admin
Created at
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Updated at
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