Structure Database (LMSD)
Common Name
Floionic acid
Systematic Name
9,10-dihydroxy-Octadecanedioic acid
Synonyms
- Phloionic acid
LM ID
LMFA01170030
Formula
Exact Mass
Calculate m/z
346.23554
Sum Composition
Status
Curated
3D model of Floionic 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)
NQBSWIGTUPEPIH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O6/c19-15(11-7-3-1-5-9-13-17(21)22)16(20)12-8-4-2-6-10-14-18(23)24/h15-16,19-20H,1-14H2,(H,21,22)(H,23,24)
SMILES (Click to copy)
C(CCCCCCCC(O)C(O)CCCCCCCC(=O)O)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
367.42
Topological Polar Surface Area
115.06
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
3.91
Molar Refractivity
92.95
Admin
Created at
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Updated at
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