Structure Database (LMSD)
Common Name
11,12,15-trihydroxy palmitic acid
Systematic Name
11,12,15-trihydroxy-hexadecanoic acid
Synonyms
LM ID
LMFA01050102
Formula
Exact Mass
Calculate m/z
304.224975
Sum Composition
Status
Active
3D model of 11,12,15-trihydroxy 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)
SVZYWAXPIAVKCO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O5/c1-13(17)10-11-15(19)12-14(18)8-6-4-2-3-5-7-9-16(20)21/h13-15,17-19H,2-12H2,1H3,(H,20,21)
SMILES (Click to copy)
C(O)(CC(O)CCC(O)C)CCCCCCCCC(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
326.67
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
3.32
Molar Refractivity
83.65
Admin
Created at
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Updated at
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