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
LM ID
LMFA01050449
Formula
Exact Mass
Calculate m/z
176.03209
Sum Composition
Status
Active

Main

Classification

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

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID
PDB ID

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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