(2S,4S)-Methyl 4-hydroxy-2-(hydroxymethyl)-1-methyl-5-oxopyrrolidine-2-carboxylate
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Basic information
- CAS
793682-88-9- Standard SMILES
COC(=O)[C@@]1(CO)C[C@H](O)C(=O)N1C- InChIKey
JYHWDKYCGYJGDN-XNCJUZBTSA-N- Molecular formula
- C8H13NO5
- Average molar mass
- 203.19 g/mol
Names & identifiers
- Preferred name
- (2S,4S)-Methyl 4-hydroxy-2-(hydroxymethyl)-1-methyl-5-oxopyrrolidine-2-carboxylate
- IUPAC
- methyl (2S,4S)-4-hydroxy-2-(hydroxymethyl)-1-methyl-5-oxopyrrolidine-2-carboxylate
- English name
- D-Proline, 4-hydroxy-2-(hydroxymethyl)-1-methyl-5-oxo-, methyl ester, (4S)- (9CI)
- Molecular formula
- C8H13NO5
- Molecular weight
- 203.19
Names & synonyms
793682-88-9(2S,4S)-Methyl 4-hydroxy-2-(hydroxymethyl)-1-methyl-5-oxopyrrolidine-2-carboxylateD-Proline, 4-hydroxy-2-(hydroxymethyl)-1-methyl-5-oxo-, methyl ester, (4S)-D-Proline, 4-hydroxy-2-(hydroxymethyl)-1-methyl-5-oxo-, methyl ester, (4S)- (9CI)methyl (2S,4S)-4-hydroxy-2-(hydroxymethyl)-1-methyl-5-oxopyrrolidine-2-carboxylate
Database identifiers
- CAS
793682-88-9
Properties
Computed structural propertiesFilling in
- XLogP
- -1.7
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 127 °C · 127 °C
- Boiling point
- 394.9 · 394.9±42.0 °C(Predicted)
- Density
- 1.374 · 1.374±0.06 g/cm3(Predicted)
- pka
- 12.71 · 12.71±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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