Structure Database (LMSD)
Common Name
12-Hydroxyhexacosanoic acid
Systematic Name
12-Hydroxyhexacosanoic acid
Synonyms
3D model of 12-Hydroxyhexacosanoic 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)
JTFQZKDWOBAOME-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H52O3/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25(27)23-20-17-14-11-12-15-18-21-24-26(28)29/h25,27H,2-24H2,1H3,(H,28,29)
SMILES (Click to copy)
OC(=O)CCCCCCCCCCC(O)CCCCCCCCCCCCCC
References
Reference
Netherlands Institute for Sea Research (NIOZ) MBT database
Comments
Submitted by Henry Boumann, Netherlands
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
0
Aromatic Rings
0
Rotatable Bonds
24
Van der Waals Molecular Volume
482.09
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
8.71
Molar Refractivity
126.02
Admin
Created at
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Updated at
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