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
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
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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