Structure Database (LMSD)
Common Name
2-tetracosyl-3-hydroxy-hentetraconta-20Z-enoic acid
Systematic Name
2-tetracosyl-3-hydroxy-hentetraconta-20Z-enoic acid
Synonyms
3D model of 2-tetracosyl-3-hydroxy-hentetraconta-20Z-enoic 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)
SRFVGUHOSYVHKF-KNWKATPGSA-N
InChi (Click to copy)
InChI=1S/C65H128O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-56-58-60-62-64(66)63(65(67)68)61-59-57-55-53-51-49-47-45-43-41-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,63-64,66H,3-33,36-62H2,1-2H3,(H,67,68)/b35-34-
SMILES (Click to copy)
C(CCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCC)CCCCCCCC(O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
68
Rings
0
Aromatic Rings
0
Rotatable Bonds
61
Van der Waals Molecular Volume
1154.15
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
23.56
Molar Refractivity
305.92
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Created at
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Updated at
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