Structure Database (LMSD)
Common Name
2,3-dihydroxy stearic acid
Systematic Name
2,3-dihydroxy-octadecanoic acid
Synonyms
LM ID
LMFA02000137
Formula
Exact Mass
Calculate m/z
316.26136
Sum Composition
Status
Active
3D model of 2,3-dihydroxy stearic 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)
UAZFXPRZXKJSFJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCC)CCCCCCCCCCC(O)C(O)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
352.48
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.85
Molar Refractivity
90.99
Admin
Created at
-
Updated at
-