Structure Database (LMSD)
Common Name
3-deoxy-D-glycero-hexo-2,5-diulosonic acid
Systematic Name
(4S)-4,6-dihydroxy-2,5-dioxohexanoic acid;3-deoxy-D-glycero-hexo-2,5-diulosonic acid
Synonyms
- 3-deoxy-D-glycero-2,5-hexodiulosonic acid
3D model of 3-deoxy-D-glycero-hexo-2,5-diulosonic 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)
IBGYNIRCYXIAON-VKHMYHEASA-N
InChi (Click to copy)
InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,7-8H,1-2H2,(H,11,12)/t3-/m0/s1
SMILES (Click to copy)
C([C@@H](O)CC(=O)C(O)=O)(CO)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
157.18
Topological Polar Surface Area
111.90
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
-1.48
Molar Refractivity
36.36
Admin
Created at
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Updated at
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