Choline hydrogen sulfate
PubChem CID: 486
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | choline hydrogen sulfate, N,N,N-trimethyl-2-(sulfooxy)ethanaminium, 16655-25-7, CHEBI:52859, DTXSID90168128, trimethyl(2-sulfooxyethyl)azanium, SCHEMBL339065, DTXCID6090619, Q27123645 |
|---|---|
| Topological Polar Surface Area | 72.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | trimethyl(2-sulfooxyethyl)azanium |
| Prediction Hob | 0.0 |
| Xlogp | -0.8 |
| Molecular Formula | C5H14NO4S+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | WXCQAWGXWVRCGP-UHFFFAOYSA-O |
| Fcsp3 | 1.0 |
| Logs | -3.689 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.498 |
| Compound Name | Choline hydrogen sulfate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.064 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 184.064 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 184.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.2709694 |
| Inchi | InChI=1S/C5H13NO4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3/p+1 |
| Smiles | C[N+](C)(C)CCOS(=O)(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Govaniana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Source_db:cmaup_ingredients