Swainsonine, synthetic
PubChem CID: 16219982
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| Compound Synonyms | Swainsonine, synthetic, AKOS030240853, NCGC00163481-01, Swainsonine, from Rhizoctonia leguminicola, (1S,2R,8R)-OCTAHYDROINDOLIZINE-1,2,8-TRIOL, Swainsonine, from Metarrhizium anisopliae, >=98% (TLC), (1S,2R,8R)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol |
|---|---|
| Topological Polar Surface Area | 63.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,2R,8R)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -1.3 |
| Is Pains | False |
| Molecular Formula | C8H15NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FXUAIOOAOAVCGD-DCDLSZRSSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Swainsonine, synthetic |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 173.105 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 173.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 173.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.12011439999999995 |
| Inchi | InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7?,8-/m1/s1 |
| Smiles | C1C[C@H](C2[C@@H]([C@@H](CN2C1)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyclea Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients