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
Status
Active
Exact Mass
Calculate m/z
176.03209
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

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

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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