Structure Database (LMSD)

Common Name
1,20-Eicosanediol
Systematic Name
icosane-1,20-diol
Synonyms
LM ID
LMFA05000578
Formula
C20H42O2
Exact Mass
Calculate m/z
314.31848
Sum Composition
FOH 20:0;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)
PGMMMHFNKZSYEP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H42O2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22/h21-22H,1-20H2
SMILES (Click to copy)
OCCCCCCCCCCCCCCCCCCCCO

Other Databases

HMDB ID
HMDB0040982
CHEBI ID
184409
PubChem CID
4134690

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 372.14
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 6.56
Molar Refractivity 98.26

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Created at
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Updated at
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