In-Silico Structure Database (LMISSD)
Common Name
DG(12:0/19:0/0:0)
Systematic Name
1-dodecanoyl-2-nonadecanoyl-sn-glycerol
LM ID
LMGL02010339
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
554.491025
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Diradylglycerols [GL02]
Diacylglycerols [GL0201]
String Representations
InChiKey (Click to copy)
RGCGPOOGPUNXCH-YTTGMZPUSA-N
InChi (Click to copy)
InChI=1S/C34H66O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-34(37)39-32(30-35)31-38-33(36)28-26-24-22-20-12-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
0
Aromatic Rings
0
Rotatable Bonds
33
Van der Waals Molecular Volume
635.43
Topological Polar Surface Area
72.83
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
10.86
Molar Refractivity
165.42