Structure Database (LMSD)
Common Name
FAHFA 16:0/11O(FA 16:0)
Systematic Name
11-hexadecanoyloxy-hexadecanoic acid
Synonyms
- 11-PAHPA
LM ID
LMFA07090038
Formula
Exact Mass
Calculate m/z
510.46481
Sum Composition
Abbrev Chains
FAHFA 16:0/16:0;O
Status
Active
3D model of FAHFA 16:0/11O(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)
JBFRCUPOANWJTN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H62O4/c1-3-5-7-8-9-10-11-12-13-14-18-21-25-29-32(35)36-30(26-22-6-4-2)27-23-19-16-15-17-20-24-28-31(33)34/h30H,3-29H2,1-2H3,(H,33,34)
SMILES (Click to copy)
C(CCCCCCCCC(=O)O)C(OC(CCCCCCCCCCCCCCC)=O)CCCCC
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