Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP01080031
Common Name-
Systematic Name2-amino-14,16-dimethyloctadecan-3-ol
Synonyms-
Exact Mass
313.3345 (neutral)    Calculate m/z:
FormulaC20H43NO
CategorySphingolipids [SP]
Main ClassSphingoid bases [SP01]
Sub ClassSphingoid base analogs [SP0108]
PubChem CID10236627
InChIKeyPRIXJBFEYXJGPF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H43NO/c1-5-17(2)16-18(3)14-12-10-8-6-7-9-11-13-15-20(22)19(4)21/h17-
20,22H,5-16,21H2,1-4H3
SMILESC(C)(N)C(O)CCCCCCCCCCC(C)CC(C)CC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
374.35Topological Polar
Surface Area
46.25Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
1
 logP6.24Molar
Refractivity
100.09