(3S,5S)-piperidine-3,4,5-triol
PubChem CID: 10080444
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL7176534, AKOS006353436 |
|---|---|
| Topological Polar Surface Area | 72.7 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 88.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S,5S)-piperidine-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -2.3 |
| Molecular Formula | C5H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RMCNETIHECSPMZ-IMJSIDKUSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.055 |
| Rotatable Bond Count | 0.0 |
| Logd | -1.62 |
| Compound Name | (3S,5S)-piperidine-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 133.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 133.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 133.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.7708885999999999 |
| Inchi | InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4-/m0/s1 |
| Smiles | C1[C@@H](C([C@H](CN1)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asclepias Speciosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eupatorium Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lysimachia Clethroides (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Mimosa Tenuiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Paeonia Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Senna Sophera (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Thalictrum Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Trapa Bispinosa (Plant) Rel Props:Source_db:cmaup_ingredients