Structure Database (LMSD)
Common Name
Safingol ( L-threo-sphinganine)
Systematic Name
2S-aminooctadecane-1,3R-diol
Synonyms
3D model of Safingol ( L-threo-sphinganine)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
OTKJDMGTUTTYMP-ROUUACIJSA-N
InChi (Click to copy)
InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@@]([H])(O)CCCCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
348.54
Topological Polar Surface Area
66.48
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
2
logP
5.01
Molar Refractivity
92.89
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Created at
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Updated at
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