D-3-Bromocamphor-8-sulfonic acid ammonium salt | SBID = 99 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 83.6 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 4.0 | ||
| 3D Volume/Å3: | |||
| Sum Formula: | C10H18BrNO4S | ||
| M / g/mol: | 328.221 | ||
| Complexity: | 427.0 | ||
| Number of Conformers: | 0.0 |
Identifiers
- Tags: salt
- Name: D-3-Bromocamphor-8-sulfonic acid ammonium salt
- Preferred Abbreviation: D-3-Bromocamphor-8-sulfonic acid ammonium salt
- IUPAC Name: azanium;[(1S,3R,4R,7S)-3-bromo-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]methanesulfonate
- CAS: 55870-50-3
- CID: 56965766
- InChiKey: GFBVBBRNPGPROZ-ORUKMIDOSA-N
- InChi: InChI=1S/C10H15BrO4S.H3N/c1-9-4-3-6(7(11)8(9)12)10(9,2)5-16(13,14)15;/h6-7H,3-5H2,1-2H3,(H,13,14,15);1H3/t6-,7+,9+,10-;/m0./s1
- CanoSmiles: CC12CCC(C1(C)CS(=O)(=O)[O-])C(C2=O)Br.[NH4+]
- IsoSmiles: C[C@]12CC[C@H]([C@]1(C)CS(=O)(=O)[O-])[C@H](C2=O)Br.[NH4+]
