Structure Database (LMSD)
Common Name
Ascorbyl stearate
Systematic Name
2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl octadecanoate
Synonyms
LM ID
LMFA07010789
Formula
Exact Mass
Calculate m/z
442.293055
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Ascorbyl stearate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
LITUBCVUXPBCGA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,23,25,27-28H,2-18H2,1H3
SMILES (Click to copy)
O(C(=O)CCCCCCCCCCCCCCCCC)CC(C1C(=C(O)C(=O)O1)O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
1
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
465.01
Topological Polar Surface Area
115.36
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
6.26
Molar Refractivity
120.19
Admin
Created at
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Updated at
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