Basic information
- CAS
6477-49-2- Standard SMILES
O=C(O)CC(O)C(O)C(O)CO- InChIKey
PALQXFMLVVWXFD-UHFFFAOYSA-N- Molecular formula
- C6H12O6
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.0633881
Names & identifiers
- Preferred name
- 2-Deoxyhexonic acid
- IUPAC
- 3,4,5,6-tetrahydroxyhexanoic acid
Names & synonyms
2-deoxyhexonic acid6477-49-2SCHEMBL13430947DTXSID201315751
Database identifiers
- CAS
6477-49-2- PubChem CID
- 626
- DTXSID
DTXSID201315751
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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