Structure Database (LMSD)
Common Name
FAHFA 16:0/13O(FA 16:0)
Systematic Name
13-hexadecanoyloxy-hexadecanoic acid
Synonyms
- 13-PAHPA
LM ID
LMFA07090040
Formula
Exact Mass
Calculate m/z
510.46481
Sum Composition
Abbrev Chains
FAHFA 16:0/16:0;O
Status
Active
3D model of FAHFA 16:0/13O(FA 16:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
IHNHFVFOGDZMEW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H62O4/c1-3-5-6-7-8-9-10-11-12-16-19-22-25-29-32(35)36-30(26-4-2)27-23-20-17-14-13-15-18-21-24-28-31(33)34/h30H,3-29H2,1-2H3,(H,33,34)
SMILES (Click to copy)
C(CCCCCCCCCCC(=O)O)C(OC(CCCCCCCCCCCCCCC)=O)CCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
0
Aromatic Rings
0
Rotatable Bonds
30
Van der Waals Molecular Volume
592.04
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
10.84
Molar Refractivity
154.03
Admin
Created at
-
Updated at
14th Jun 2023