Structure Database (LMSD)
Common Name
(+)-3-hydroxy behenic
Systematic Name
3-hydroxy-docosanoic acid
Synonyms
3D model of (+)-3-hydroxy behenic
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)
PNPWTPYWWUOMDS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
SMILES (Click to copy)
C(CCCCCCCCCCC(O)CC(=O)O)CCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
412.89
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
7.15
Molar Refractivity
107.55
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Created at
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Updated at
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