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
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
Other Databases
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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