Structure Database (LMSD)
Common Name
Aplidiasphingosine
Systematic Name
2S-amino-5,9,13,17-tetramethyl-8E,16-octadecadiene-1,3R,14-triol
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ASNURABVVXFZSH-CGWCWHFRSA-N
InChi (Click to copy)
InChI=1S/C22H43NO3/c1-16(2)12-13-21(25)19(5)11-7-9-17(3)8-6-10-18(4)14-22(26)20(23)15-24/h8,12,18-22,24-26H,6-7,9-11,13-15,23H2,1-5H3/b17-8+/t18?,19?,20-,21?,22+/m0/s1
SMILES (Click to copy)
C([C@H](N)[C@H](O)CC(C)CC/C=C(\C)/CCCC(C)C(O)C/C=C(\C)/C)O
References
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
421.25
Topological Polar Surface Area
86.71
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
3
logP
5.09
Molar Refractivity
112.94
Admin
Created at
-
Updated at
-