Benzenemethanol, 3-hydroxy-alpha-((methylamino)methyl)-, mono(hydrogensulfate) (ester), (R)-
Basic information
- CAS
87913-97-1- Standard SMILES
CNC[C@H](OS(=O)(=O)O)c1cccc(O)c1- InChIKey
BRSGUGOZGGFORD-VIFPVBQESA-N- Molecular formula
- C9H13NO5S
- Average molar mass
- 247.27 g/mol
- Monoisotopic mass
- 247.05144369
Names & identifiers
- Preferred name
- Benzenemethanol, 3-hydroxy-alpha-((methylamino)methyl)-, mono(hydrogensulfate) (ester), (R)-
- IUPAC
- [(1R)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl] hydrogen sulfate
Names & synonyms
87913-97-1Benzenemethanol, 3-hydroxy-alpha-((methylamino)methyl)-, mono(hydrogensulfate) (ester), (R)-(1r)-1-(3-hydroxyphenyl)-2-(methylamino)ethyl hydrogen sulfateDTXSID50236690
Database identifiers
- CAS
87913-97-1- PubChem CID
- 159185
- DTXSID
DTXSID50236690
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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