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
Main
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
References
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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