Structure Database (LMSD)

Common Name
Thromboxane
Systematic Name
(2R,3S)-3-heptyl-2-octyloxane
Synonyms
LM ID
LMFA03030015
Status
Active
Exact Mass
Calculate m/z
296.307915
Formula
Abbrev


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)
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

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

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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