Basic information
- CAS
158647-63-3- Standard SMILES
O=C(O)C(=O)CC(O)C(O)CO- InChIKey
WPAMZTWLKIDIOP-UHFFFAOYSA-N- Molecular formula
- C6H10O6
- Average molar mass
- 178.14 g/mol
- Monoisotopic mass
- 178.04773803
Names & identifiers
- Preferred name
- 3-Deoxyhex-2-ulosonic acid
- IUPAC
- 4,5,6-trihydroxy-2-oxohexanoic acid
Names & synonyms
3-deoxyhex-2-ulosonic acidDTXSID60864781158647-63-3RefChem:1067688DTXCID60813259SCHEMBL13176443PD041302
Database identifiers
- CAS
158647-63-3- PubChem CID
- 37
- DTXSID
DTXSID60864781
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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