Basic information
- CAS
11034-22-3- Standard SMILES
C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=S(=O)(O)O- InChIKey
RONWGALEIBILOG-QJEGDNEGSA-N- Molecular formula
- C40H50N4O8S
- Average molar mass
- 746.9 g/mol
- Monoisotopic mass
- 746.33493574
Names & identifiers
- Preferred name
- Sulfuric acid--6'-methoxycinchonan-9-ol (1/2)
- IUPAC
- bis((S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid
Names & synonyms
DTXSID80911600Sulfuric acid--6'-methoxycinchonan-9-ol (1/2)11034-22-3RefChem:1099272DTXCID801340633HMS3263I19CCG-222313LP01009EU-0101009Q0010Q 0875Sulfuric acid--(1xi,9S)-6'-methoxycinchonan-9-ol (1/2)
Database identifiers
- CAS
11034-22-3- PubChem CID
- 5768
- DTXSID
DTXSID80911600
Properties
Computed structural properties
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…