Structure Database (LMSD)

O O OH O OH HO
Common Name
Sorbitan stearate
Systematic Name
2-(3,4-dihydroxyoxolan-2-yl)-2-hydroxyethyl octadecanoate
Synonyms
LM ID
LMFA07011020
Formula
C24H46O6
Exact Mass
Calculate m/z
430.32944
Sum Composition
WE 24:1;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)
HVUMOYIDDBPOLL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h20-21,23-26,28H,2-19H2,1H3
SMILES (Click to copy)
O(C(CCCCCCCCCCCCCCCCC)=O)CC(C1OCC(O)C1O)O

References

Other Databases

HMDB ID
HMDB0029888
CHEBI ID
181141
PubChem CID
3793749

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 1
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 461.50
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.99
Molar Refractivity 121.29

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Created at
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Updated at
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