Structure Database (LMSD)

Common Name
Thromboxanoic acid skeleton
Systematic Name
Synonyms
LM ID
LMFA03030000
Status
Active


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

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

Other Databases

PubChem CID

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

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Created at
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Updated at
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