Basic information
- CAS
3409-57-2- Standard SMILES
O=C(O)C(=O)C(=O)[C@@H](O)[C@H](O)CO- InChIKey
GJQWCDSAOUMKSE-GBXIJSLDSA-N- Molecular formula
- C6H8O7
- Average molar mass
- 192.12 g/mol
- Monoisotopic mass
- 192.02700259
Overview
2,3-diketogulonic acid has been reported in Solanum tuberosum and Homo sapiens with data available.
Names & identifiers
- Preferred name
- 2,3-Diketogulonic Acid
- IUPAC
- (4S,5R)-4,5,6-trihydroxy-2,3-dioxohexanoic acid
- English name
- 2,3-Diketogulonic Acid
- Molecular weight
- 0
Names & synonyms
3409-57-2Diketogulonic acidthreo-2,3-Hexodiulosonic acid2,3-DIKETOGULONIC ACIDW7I9B5SS3X2,3 Diketogulonic AcidDTXSID40187687CHEBI:15622RefChem:908650Acid, 2,3-DiketogulonicDTXCID00110178(4R,5S)-4,5,6-trihydroxy-2,3-dioxohexanoic acid
Show more names
L-threo-hexo-2,3-diulosonic acid(4S,5R)-4,5,6-trihydroxy-2,3-dioxohexanoic acidUNII-W7I9B5SS3X2,3-DIOXOGULONIC ACIDSCHEMBL2728301GJQWCDSAOUMKSE-GBXIJSLDSA-ND-threo-Hexo-2,3-diulosonic acidGULONIC ACID, 2,3-DIKETO-
Database identifiers
- CAS
3409-57-2- PubChem CID
- 18871
- DTXSID
DTXSID40187687- UNII
- W7I9B5SS3X
- Nikkaji
- J156.564H
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- FDA UNII
- 7 I9B5SS3X · W7I9B5SS3X
Chemistry & industry
Suppliers2 total
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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