Structure Database (LMSD)
Common Name
Turpetholic acid C
Systematic Name
4,12-dihydroxy-hexadecanoic acid
Synonyms
LM ID
LMFA01050189
Formula
Exact Mass
Calculate m/z
288.23006
Sum Composition
Status
Active
3D model of Turpetholic acid C
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)
QXNNRMXGPQQIRN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O4/c1-2-3-9-14(17)10-7-5-4-6-8-11-15(18)12-13-16(19)20/h14-15,17-18H,2-13H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCC(O)CCCCCCCC(O)CCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
317.88
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.07
Molar Refractivity
81.75
Admin
Created at
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Updated at
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