Structure Database (LMSD)
Common Name
D-Mycoceranic acid
Systematic Name
2,4,6-trimethyl-octacosanoic acid
Synonyms
- Mycocerosic acid
- Phthianoic acid
3D model of D-Mycoceranic 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)
YDTQWDHOFAHJMF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H62O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28(2)26-29(3)27-30(4)31(32)33/h28-30H,5-27H2,1-4H3,(H,32,33)
SMILES (Click to copy)
C(CCCCCCCC(C)CC(C)CC(C)C(=O)O)CCCCCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
0
Aromatic Rings
0
Rotatable Bonds
26
Van der Waals Molecular Volume
559.80
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
10.97
Molar Refractivity
146.99
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Created at
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Updated at
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