Structure Database (LMSD)
Common Name
2,5-didehydro-D-gluconic acid
Systematic Name
D-threo-hexo-2,5-diulosonic acid
Synonyms
- 2,5-Dioxo-D-gluconic acid
- 2,5-didehydro-D-gluconic acid
- 2,5-diketo-D-gluconic acid
- D-threo-2,5-Hexodiulosonic acid
3D model of 2,5-didehydro-D-gluconic acid
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)
RXMWXENJQAINCC-DMTCNVIQSA-N
InChi (Click to copy)
InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-4,7,9-10H,1H2,(H,12,13)/t3-,4+/m1/s1
SMILES (Click to copy)
OC(C([C@H]([C@@H](C(CO)=O)O)O)=O)=O
References
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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