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
3D model of Ascorbyl stearate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
References
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
-
Updated at
-