Structure Database (LMSD)
Common Name
2S,3R-didecanoyl-docosane-2,3-diol
Systematic Name
2S,3R-didecanoyl-docosane-2,3-diol
Synonyms
3D model of 2S,3R-didecanoyl-docosane-2,3-diol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
HUAWYSBBXLTGLE-IOLBBIBUSA-N
InChi (Click to copy)
InChI=1S/C42H82O4/c1-5-8-11-14-17-18-19-20-21-22-23-24-25-26-29-30-33-36-40(46-42(44)38-35-32-28-16-13-10-7-3)39(4)45-41(43)37-34-31-27-15-12-9-6-2/h39-40H,5-38H2,1-4H3/t39-,40+/m0/s1
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCC[C@](OC(CCCCCCCCC)=O)([H])[C@](OC(CCCCCCCCC)=O)([H])C
References
Calculated Physicochemical Properties
Heavy Atoms
46
Rings
0
Aromatic Rings
0
Rotatable Bonds
39
Van der Waals Molecular Volume
765.04
Topological Polar Surface Area
52.60
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
logP
14.73
Molar Refractivity
200.46
Admin
Created at
-
Updated at
25th Jul 2022