Structure Database (LMSD)

Common Name
Tetracosanoic acid, 15,16-dihydroxy-, methyl ester
Systematic Name
Methyl 15,16-dihydroxy-tetracosanoate
Synonyms
LM ID
LMFA01050530
Status
Active
Exact Mass
Calculate m/z
414.37091
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)
ANKIJNMJOZDVJY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H50O4/c1-3-4-5-6-14-17-20-23(26)24(27)21-18-15-12-10-8-7-9-11-13-16-19-22-25(28)29-2/h23-24,26-27H,3-22H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCC(O)C(O)CCCCCCCC)(=O)OC

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 473.58
Topological Polar Surface Area 66.76
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 7.28
Molar Refractivity 123.07

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Created at
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Updated at
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