Structure Database (LMSD)
Common Name
diketo-gulonic acid
Systematic Name
2,3-dioxo-4R,5S,6-trihydroxy-hexanoic acid
Synonyms
3D model of diketo-gulonic 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)
GJQWCDSAOUMKSE-STHAYSLISA-N
InChi (Click to copy)
InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1
SMILES (Click to copy)
C(=O)(O)C(=O)C(=O)[C@H](O)[C@@H](O)CO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
165.97
Topological Polar Surface Area
132.13
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
7
logP
-2.22
Molar Refractivity
38.26
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Created at
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Updated at
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