Structure Database (LMSD)
Common Name
(+)-C27-Phthienoic acid
Systematic Name
2,4,6-trimethyl-2Z-tetracosenoic acid
Synonyms
- Mycolipenic acid
3D model of (+)-C27-Phthienoic 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)
SJZUAPDAKBPNQS-WNAAXNPUSA-N
InChi (Click to copy)
InChI=1S/C27H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(2)22-25(3)23-26(4)27(28)29/h23-25H,5-22H2,1-4H3,(H,28,29)/b26-23+
SMILES (Click to copy)
C(CCCCCCCC(C)CC(C)/C=C(\C)/C(=O)O)CCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
0
Aromatic Rings
0
Rotatable Bonds
21
Van der Waals Molecular Volume
487.96
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
9.33
Molar Refractivity
128.50
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Created at
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Updated at
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