Structure Database (LMSD)
Common Name
Exophilin A2
Systematic Name
Synonyms
3D model of Exophilin A2
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
References
String Representations
InChiKey (Click to copy)
HCNZRMMEIFPGAJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H58O11/c1-5-8-11-14-24(34)17-25(35)19-31(39)42-27(15-12-9-6-2)18-26(36)20-32(40)43-28(16-13-10-7-3)21-29(22-30(37)38)41-23(4)33/h24-29,34-36H,5-22H2,1-4H3,(H,37,38)
SMILES (Click to copy)
C(CC(OC(=O)C)CC(OC(CC(O)CC(OC(CC(O)CC(O)CCCCC)=O)CCCCC)=O)CCCCC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
0
Aromatic Rings
0
Rotatable Bonds
30
Van der Waals Molecular Volume
648.29
Topological Polar Surface Area
176.89
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
11
logP
6.71
Molar Refractivity
164.17
Admin
Created at
22nd Oct 2019
Updated at
5th Mar 2021