Structure Database (LMSD)
Common Name
Triangulyne G
Systematic Name
Tetratriaconta-19Z,30E-dien-2,4,6,17,33-pentayne-1,32R-diol
Synonyms
LM ID
LMFA05000737
Formula
Exact Mass
Calculate m/z
486.34978
Sum Composition
Status
Active
3D model of Triangulyne G
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
OURGQUMQIFPFJQ-DNEWNMTGSA-N
InChi (Click to copy)
InChI=1S/C34H46O2/c1-2-34(36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35/h1,8,10,30,32,34-36H,3,5,7,9,11-20,22,24,26,28,33H2/b10-8-,32-30+/t34-/m0/s1
SMILES (Click to copy)
C(C#CC#CC#CCCCCCCCCCC#C/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
Aromatic Rings
Rotatable Bonds
19
Van der Waals Molecular Volume
582.66
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
7.69
Molar Refractivity
155.42
Admin
Created at
6th Jul 2021
Updated at
6th Jul 2021