Structure Database (LMSD)

O O OH O OH HO
Common Name
Sorbitan laurate
Systematic Name
2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl dodecanoate
Synonyms
LM ID
LMFA07011017
Formula
C18H34O6
Exact Mass
Calculate m/z
346.23554
Sum Composition
WE 18:1;O4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
LWZFANDGMFTDAV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O6/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-13-15(20)18-17(22)14(19)12-24-18/h14-15,17-20,22H,2-13H2,1H3
SMILES (Click to copy)
O(C(CCCCCCCCCCC)=O)CC(C1OCC(O)C1O)O

References

Other Databases

HMDB ID
HMDB0029885
CHEBI ID
1187364
PubChem CID
347468

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 357.70
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.65
Molar Refractivity 93.59

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Created at
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Updated at
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