Structure Database (LMSD)
Common Name
Phloionolic acid
Systematic Name
9,10,18-trihydroxy-octadecanoic acid
Synonyms
- Aleutiric acid
- Floionolic acid
LM ID
LMFA02000147
Formula
Exact Mass
Calculate m/z
332.256275
Sum Composition
Status
Active
3D model of Phloionolic 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)
OISFHODBOQNZAG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)
SMILES (Click to copy)
C(O)(CCCCCCCCO)C(O)CCCCCCCC(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
361.27
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
4.10
Molar Refractivity
92.89
Admin
Created at
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Updated at
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