Basic information
- Standard SMILES
CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1[NH3+].O=C([O-])[C@@H](O)c1ccccc1- InChIKey
BLOPSYBNDVXSHH-IOFYYIOZSA-N- Molecular formula
- C18H25NO5
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.1732729
Names & identifiers
- Preferred name
- (1R,2S,3R,4S)-3-ethoxycarbonyl-bicyclo[2.2.1]hept-2-yl-ammonium (S)-alpha-hydroxyphenylacetate
- IUPAC
- [(1R,2S,3R,4S)-3-ethoxycarbonyl-2-bicyclo[2.2.1]heptanyl]azanium;(2S)-2-hydroxy-2-phenylacetate
Names & synonyms
BLOPSYBNDVXSHH-IOFYYIOZSA-N(1R,2S,3R,4S)-3-ethoxycarbonyl-bicyclo [2.2.1]hept-2-yl-aminium (S)-alpha-hydroxyphenylacetate(1R,2S,3R,4S)-3-ethoxycarbonyl-bicyclo[2.2.1]hept-2-yl-aminium (S)-alpha-hydroxyphenylacetate(1R,2S,3R,4S)-3-ethoxycarbonyl-bicyclo[2.2.1]hept-2-yl-ammonium (S)-alpha-hydroxyphenylacetate
Database identifiers
- PubChem CID
- 86636775
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 350
Related reactions
9 records
Compound notes
Loading…