Structure Database (LMSD)

OH
Common Name
12-Tricosanol
Systematic Name
tricosan-12-ol
Synonyms
LM ID
LMFA05000588
Formula
C23H48O
Exact Mass
Calculate m/z
340.370515
Sum Composition
FOH 23:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

String Representations

InChiKey (Click to copy)
PFMNFSXMCRSYMU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H48O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCC(O)CCCCCCCCCCC

References

Other Databases

HMDB ID
HMDB0034285
PubChem CID
3084429

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 415.25
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.48
Molar Refractivity 110.21

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Created at
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Updated at
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