Structure Database (LMSD)
Common Name
2-keto-3-hydroxyoctadecanoic acid
Systematic Name
2-oxo-3-hydroxyoctadecanoic acid
Synonyms
- Hydroxyketooctadecanoic acid
- Hydroxyketostearic acid
LM ID
LMFA01060209
Formula
Exact Mass
Calculate m/z
314.24571
Sum Composition
Status
Active
3D model of 2-keto-3-hydroxyoctadecanoic 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)
MYKUSIWXHVLDRP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h16,19H,2-15H2,1H3,(H,21,22)
SMILES (Click to copy)
C(C(=O)C(O)CCCCCCCCCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
349.84
Topological Polar Surface Area
74.6
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
4.77
Molar Refractivity
89.47
Admin
Created at
-
Updated at
-