Structure Database (LMSD)
Common Name
Ascorbyl palmitate
Systematic Name
2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl hexadecanoate
Synonyms
LM ID
LMFA07010788
Formula
Exact Mass
Calculate m/z
414.261755
Sum Composition
Status
Active
3D model of Ascorbyl palmitate
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)
QAQJMLQRFWZOBN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3
SMILES (Click to copy)
O(C(CCCCCCCCCCCCCCC)=O)CC(C1C(=C(O)C(=O)O1)O)O
References
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
1
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
430.41
Topological Polar Surface Area
115.36
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
5.48
Molar Refractivity
110.96
Admin
Created at
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Updated at
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