Structure Database (LMSD)
Common Name
Sulfamisterin
Systematic Name
(2S,3R)-2-amino-2-hydroxymethyl-3-hydroxysulfonyloxy-12-oxo-octadecanoic acid
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
VDFZNNFUNCRYKZ-MJGOQNOKSA-N
InChi (Click to copy)
InChI=1S/C19H37NO8S/c1-2-3-4-9-12-16(22)13-10-7-5-6-8-11-14-17(28-29(25,26)27)19(20,15-21)18(23)24/h17,21H,2-15,20H2,1H3,(H,23,24)(H,25,26,27)/t17-,19+/m1/s1
SMILES (Click to copy)
C([C@](C(O)=O)(N)[C@H](OS(O)(=O)=O)CCCCCCCCC(=O)CCCCCC)O
References
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
431.81
Topological Polar Surface Area
164.22
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
9
logP
4.72
Molar Refractivity
110.18
Admin
Created at
-
Updated at
6th Jul 2020