Structure Database (LMSD)
Common Name
2-hydroxystearate
Systematic Name
(2S)-2-oxidanyloctadecanoic acid
Synonyms
- (2S)-2-hydroxystearic acid
3D model of 2-hydroxystearate
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)
KIHBGTRZFAVZRV-KRWDZBQOSA-N
InChi (Click to copy)
InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m0/s1
SMILES (Click to copy)
O[C@H](C(=O)O)CCCCCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
343.69
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.59
Molar Refractivity
89.08
Admin
Created at
-
Updated at
-