Structure Database (LMSD)
Common Name
3,7-dideoxy-D-threo-hepto-2,6-diuolosonic acid
Systematic Name
(4R,5S)-4,5-dihydroxy-2,6-dioxoheptanoic acid;3,7-dideoxy-D-threo-hepto-2,6-diuolosonic acid
Synonyms
3D model of 3,7-dideoxy-D-threo-hepto-2,6-diuolosonic acid
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
String Representations
InChiKey (Click to copy)
JBJFMONKIKZMPK-INEUFUBQSA-N
InChi (Click to copy)
InChI=1S/C7H10O6/c1-3(8)6(11)4(9)2-5(10)7(12)13/h4,6,9,11H,2H2,1H3,(H,12,13)/t4-,6-/m1/s1
SMILES (Click to copy)
C(C(=O)C(O)=O)[C@@H](O)[C@H](O)C(=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
174.48
Topological Polar Surface Area
111.90
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
-1.09
Molar Refractivity
40.98
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Created at
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Updated at
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