(2S,4S)-Methyl 4-hydroxy-5-oxotetrahydrofuran-2-carboxylate
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Basic information
- CAS
123356-12-7- Standard SMILES
COC(=O)[C@@H]1C[C@H](O)C(=O)O1- InChIKey
UNSIDMOABLNHFX-IMJSIDKUSA-N- Molecular formula
- C6H8O5
- Average molar mass
- 160.12 g/mol
Names & identifiers
- Preferred name
- (2S,4S)-Methyl 4-hydroxy-5-oxotetrahydrofuran-2-carboxylate
- IUPAC
- methyl (2S,4S)-4-hydroxy-5-oxooxolane-2-carboxylate
- English name
- threo-Pentaric acid, 3-deoxy-, 1,4-lactone, 5-methyl ester (9CI)
- Molecular formula
- C6H8O5
- Molecular weight
- 160.12
Names & synonyms
120742-29-2(2S,4S)-Methyl 4-hydroxy-5-oxotetrahydrofuran-2-carboxylate(2S,4S)-Methyl4-hydroxy-5-oxotetrahydrofuran-2-carboxylatethreo-Pentaric acid, 3-deoxy-, 1,4-lactone, 5-methyl ester (9CI)
Database identifiers
- CAS
123356-12-7
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 301.7 · 301.7±42.0 °C(Predicted)
- Density
- 1.444 · 1.444±0.06 g/cm3(Predicted)
- pka
- 12.6 · 12.60±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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