Structure Database (LMSD)
Common Name
2,15-dihydroxy-pentadecylic acid
Systematic Name
2,15-dihydroxy-pentadecanoic acid
Synonyms
LM ID
LMFA01050082
Formula
Exact Mass
Calculate m/z
274.21441
Sum Composition
Status
Active
3D model of 2,15-dihydroxy-pentadecylic 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)
BYSNBUIZJVDCKG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O4/c16-13-11-9-7-5-3-1-2-4-6-8-10-12-14(17)15(18)19/h14,16-17H,1-13H2,(H,18,19)
SMILES (Click to copy)
C(CO)CCCCCCCCCCCC(O)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
300.58
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
3.68
Molar Refractivity
77.13
Admin
Created at
-
Updated at
-