Structure Database (LMSD)
Common Name
Ipurolic acid
Systematic Name
3,11-dihydroxy-tetradecanoic acid
Synonyms
- 3,11-dihydroxy myristoic acid
LM ID
LMFA01050081
Formula
Exact Mass
Calculate m/z
260.19876
Sum Composition
Status
Active
3D model of Ipurolic 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)
AVKYODWULTZQPQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O4/c1-2-8-12(15)9-6-4-3-5-7-10-13(16)11-14(17)18/h12-13,15-16H,2-11H2,1H3,(H,17,18)
SMILES (Click to copy)
CCCC(O)CCCCCCCC(O)CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
283.28
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
3.29
Molar Refractivity
72.52
Admin
Created at
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Updated at
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