Structure Database (LMSD)

Common Name
tetracosane-1,3-diol
Systematic Name
tetracosane-1,3-diol
Synonyms
LM ID
LMFA05000699
Formula
C24H50O2
Exact Mass
Calculate m/z
370.38108
Sum Composition
FOH 24:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
RWVSXDXGEPXFDB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)22-23-25/h24-26H,2-23H2,1H3
SMILES (Click to copy)
C(O)CC(O)CCCCCCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
52346
PubChem CID
11963188

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 441.34
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 8.12
Molar Refractivity 116.73

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Created at
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Updated at
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