Structure Database (LMSD)

Common Name
1,26-Hexacosanediol
Systematic Name
hexacosane-1,26-diol
Synonyms
LM ID
LMFA05000581
Formula
C26H54O2
Exact Mass
Calculate m/z
398.41238
Sum Composition
FOH 26:0;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)
IDELJCANVIPGPV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H54O2/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28/h27-28H,1-26H2
SMILES (Click to copy)
OCCCCCCCCCCCCCCCCCCCCCCCCCCO

Other Databases

HMDB ID
HMDB0036581
PubChem CID
16747787

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 475.94
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 8.90
Molar Refractivity 125.96

Admin

Created at
-
Updated at
-