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
Classification
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
Other Databases
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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