Structure Database (LMSD)
Common Name
3-Acetoxy-palmitic acid
Systematic Name
3-Acetoxy-hexadecanoic acid
Synonyms
LM ID
LMFA01050550
Formula
Exact Mass
Calculate m/z
314.24571
Sum Composition
Status
Active
3D model of 3-Acetoxy-palmitic acid
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)
YGOMZEGUVXYKIH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(15-18(20)21)22-16(2)19/h17H,3-15H2,1-2H3,(H,20,21)
SMILES (Click to copy)
C(CC(OC(=O)C)CCCCCCCCCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
349.84
Topological Polar Surface Area
63.6
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
5.38
Molar Refractivity
89.4
Admin
Created at
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Updated at
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