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
Active
3D model of Floionic 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)
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
References
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
-
Updated at
-