Structure Database (LMSD)
Common Name
13,14-dihydroxy-octadecanoic acid
Systematic Name
13,14-dihydroxy-octadecanoic acid
Synonyms
- Octadecanoic acid, 13,14-dihydroxy-
LM ID
LMFA01050552
Formula
Exact Mass
Calculate m/z
316.26136
Sum Composition
Status
Active
3D model of 13,14-dihydroxy-octadecanoic 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)
SXFPGQOZGWIINB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O4/c1-2-3-13-16(19)17(20)14-11-9-7-5-4-6-8-10-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
SMILES (Click to copy)
C(CCCCCCCCCCCC(O)C(O)CCCC)(=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
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Updated at
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