Structure Database (LMSD)
Common Name
Ieodomycin D
Systematic Name
9R-hydroxy-2E,4E-decadienoic acid
Synonyms
3D model of Ieodomycin D
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BUNUAXLBBKVLBE-WMCYJUNYSA-N
InChi (Click to copy)
InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2,4,6,8-9,11H,3,5,7H2,1H3,(H,12,13)/b4-2+,8-6+/t9-/m1/s1
SMILES (Click to copy)
C(/C=C/C=C/CCC[C@H](O)C)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
200.01
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
2.02
Molar Refractivity
51.96
Admin
Created at
26th May 2020
Updated at
11th Feb 2021