(2R,4S)-4-amino-2-methyloxane-4-carboxylic acid
Basic information
- CAS
224560-54-7- Standard SMILES
C[C@@H]1C[C@](N)(C(=O)O)CCO1- InChIKey
CBXFMCCHUYOVIG-VDTYLAMSSA-N- Molecular formula
- C7H13NO3
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.08954328
Names & identifiers
- Preferred name
- (2R,4S)-4-amino-2-methyloxane-4-carboxylic acid
- IUPAC
- (2R,4S)-4-amino-2-methyloxane-4-carboxylic acid
- English name
- 2H-Pyran-4-carboxylicacid,4-aminotetrahydro-2-methyl-,(2R,4S)-rel-(9CI)
- Molecular formula
- C7H13NO3
- Molecular weight
- 159.18302
Names & synonyms
2H-Pyran-4-carboxylicacid,4-aminotetrahydro-2-methyl-,(2R,4S)-rel-(9CI)
Database identifiers
- CAS
224560-54-7- PubChem CID
- 121226806
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 171
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