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
Main
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
References
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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