(2S,3S,4S,5R)-2-Hydroxymethyl-piperidine-3,4,5-triol
PubChem CID: 44387838
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| Compound Synonyms | CHEMBL369297, deoxynorjrimycin(1), L-1-Deoxynojirimycin, SCHEMBL142573, BDBM50163447, (2S,3S,4S,5R)-2-Hydroxymethyl-piperidine-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 93.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | Q9LGC6, D3ZUM4, Q2KIM0, O43451, Q9H227, O00754, O00462, P06280, P16278, P04066, P23739, Q9SEH8, Q9Y2E5, Q4FZV0, Q5DUH8, Q9UUZ4, Q58D55, Q02401, Q2KHZ8, P04062 |
| Iupac Name | (2S,3S,4S,5R)-2-(hydroxymethyl)piperidine-3,4,5-triol |
| Prediction Hob | 1.0 |
| Target Id | NPT498 |
| Xlogp | -2.3 |
| Molecular Formula | C6H13NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LXBIFEVIBLOUGU-FSIIMWSLSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.058 |
| Rotatable Bond Count | 1.0 |
| Logd | -2.097 |
| Compound Name | (2S,3S,4S,5R)-2-Hydroxymethyl-piperidine-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 163.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 163.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 163.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3483274 |
| Inchi | InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m0/s1 |
| Smiles | C1[C@H]([C@@H]([C@H]([C@@H](N1)CO)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Morus Bombycis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Taxillus Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all