D-lyxo-5-hexulosonic acid
(2S,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoic acid
Molecular Identity
D-lyxo-5-hexulosonic acid
(2S,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoic acid
PubChem CID: 151805
Keto-D-fructuronic acid is the straight-chain keto form of D-fructuronic acid. It is functionally related to a keto-D-fructose. It is a conjugate acid of a keto-D-fructuronate.
2D Structure
Properties
C6H10O7
Molecular Formula
194.14
Molecular Weight
g/mol
194.0427
Exact Mass
Da
-3
XLogP
Drug-like (Lipinski: < 5)
135
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
7
H-Bond Acceptors
201
Complexity
SMILES
Canonical SMILES
SMILES: C(C(=O)C(C(C(C(=O)O)O)O)O)OIsomeric SMILES
SMILES: C(C(=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O)OSynonyms(20)
D-Lyxo-5-hexulosonic acid13425-76-8RefChem:919563(2S,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoic acidketo-D-fructuronic acidfructuronic acidNCIStruc1_000302NCIStruc2_000182SCHEMBL5804687CHEMBL1569116CHEBI:47950NCI1694CCG-37978NCGC00013012NCGC00013012-02
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to D-lyxo-5-hexulosonic acid
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