Structure Database (LMSD)
Common Name
Deca-4,6,8-triyne-1,1,2,3-tetraol
Systematic Name
Deca-4,6,8-triyne-1,1,2,3-tetraol
Synonyms
LM ID
LMFA05000711
Formula
Exact Mass
Calculate m/z
194.05791
Sum Composition
Status
Curated
3D model of Deca-4,6,8-triyne-1,1,2,3-tetraol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Reference
Biosynthesis and function of polyacetylenes and allied natural products. Robert E. Minto and Brenda J. Blacklock. Progress in Lipid Research. Volume 47, Dec 2007, pp. 233-306.
https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub
https://www.sciencedirect.com/science/article/pii/S0163782708000155?via%3Dihub
String Representations
InChiKey (Click to copy)
ICORPYQPLLHFNZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H10O4/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-14H,1H3
SMILES (Click to copy)
C(C#CC#CC#CC)(O)C(C(O)O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
200.88
Topological Polar Surface Area
80.92
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
logP
-1.09
Molar Refractivity
50.78
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Created at
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Updated at
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