Structure Database (LMSD)
Common Name
(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid
Systematic Name
(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid
Synonyms
- 4-deoxy-L-erythro-hex-5-ulosuronic acid
3D model of (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic 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)
IMUGYKFHMJLTOU-WVZVXSGGSA-N
InChi (Click to copy)
InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5+/m0/s1
SMILES (Click to copy)
C(=O)(O)C(=O)C[C@H](O)[C@H](O)C([H])=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
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Created at
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Updated at
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