Basic information
- Standard SMILES
C[C@H](O)[C@@H](O)[C@H](O)C(=O)CO- InChIKey
QZNPNKJXABGCRC-OTWZMJIISA-N- Molecular formula
- C6H12O5
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.06847348
Names & identifiers
- Preferred name
- 6-deoxy-L-sorbose
- IUPAC
- (3S,4R,5S)-1,3,4,5-tetrahydroxyhexan-2-one
Names & synonyms
6-deoxy-L-sorboseRefChem:935924GlyTouCan:G54384QCG54384QC6-deoxy L-sorboseSCHEMBL4733654CHEBI:194170QZNPNKJXABGCRC-OTWZMJIISA-N
Database identifiers
- PubChem CID
- 439330
- ChEBI
CHEBI:194170- Nikkaji
- J2.701.935H
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 135
Related reactions
2 records
Compound notes
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