Structure Database (LMSD)
Common Name
Turpetholic acid B
Systematic Name
4,12-dihydroxy-pentadecanoic acid
Synonyms
LM ID
LMFA01050186
Formula
Exact Mass
Calculate m/z
274.21441
Sum Composition
Status
Active
3D model of Turpetholic acid B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
QGZOSDDYSABQFX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O4/c1-2-8-13(16)9-6-4-3-5-7-10-14(17)11-12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)
SMILES (Click to copy)
C(CCC(O)CCCCCCCC(O)CCC)(=O)O
References
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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