Structure Database (LMSD)
Common Name
R. ruber mycolic acid
Systematic Name
3-hydroxy-2-tetradecyldotriacontanoic acid
Synonyms
- R. ruber mycolic acid (C46)
- mycolic acid (C46)
3D model of R. ruber mycolic 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)
DKXQWQBYCTXRSN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C46H92O3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45(47)44(46(48)49)42-40-38-36-34-32-16-14-12-10-8-6-4-2/h44-45,47H,3-43H2,1-2H3,(H,48,49)
SMILES (Click to copy)
C(CCCCCCCCCCCCC)CCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
49
Rings
0
Aromatic Rings
0
Rotatable Bonds
43
Van der Waals Molecular Volume
828.09
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
16.37
Molar Refractivity
218.29
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Updated at
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