Structure Database (LMSD)
Common Name
2-tetracosyl-3-hydroxy-heptatriaconta-18Z-enoic acid
Systematic Name
2-tetracosyl-3-hydroxy-heptatriaconta-18Z-enoic acid
Synonyms
3D model of 2-tetracosyl-3-hydroxy-heptatriaconta-18Z-enoic 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
References
String Representations
InChiKey (Click to copy)
BYODKXVKUZYFCT-KARKAFJISA-N
InChi (Click to copy)
InChI=1S/C61H120O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-58-60(62)59(61(63)64)57-55-53-51-49-47-45-43-41-39-37-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,59-60,62H,3-31,34-58H2,1-2H3,(H,63,64)/b33-32-
SMILES (Click to copy)
C(CCCCCC/C=C\CCCCCCCCCCCCCCCCCC)CCCCCCCC(O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
64
Rings
0
Aromatic Rings
0
Rotatable Bonds
57
Van der Waals Molecular Volume
1084.95
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
22.00
Molar Refractivity
287.45
Admin
Created at
-
Updated at
-