Structure Database (LMSD)
Common Name
Turpetholic acid A
Systematic Name
3,12-dihydroxy-pentadecanoic acid
Synonyms
LM ID
LMFA01050184
Formula
Exact Mass
Calculate m/z
274.21441
Sum Composition
Status
Active
3D model of Turpetholic acid A
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)
FSZLBXAVPUVPDY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O4/c1-2-9-13(16)10-7-5-3-4-6-8-11-14(17)12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)
SMILES (Click to copy)
C(CC(O)CCCCCCCCC(O)CCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
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
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Updated at
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