L-Ido-1-Deoxynojirimycin
PubChem CID: 10888248
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| Compound Synonyms | L-ido-1-Deoxynojirimycin, CHEMBL175901, 1-deoxy-L-idonojirimycin, SCHEMBL4330678, 1,5-dideoxy-1,5-imino-l-iditol, BDBM50312525, (2S,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, (2S,3R,4R,5S)-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, Q16739, P14410, P09848, Q9HCG7, P10253, P35573 |
| Iupac Name | (2S,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol |
| Prediction Hob | 1.0 |
| Target Id | NPT510, NPT511, NPT513 |
| Xlogp | -2.3 |
| Molecular Formula | C6H13NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LXBIFEVIBLOUGU-UNTFVMJOSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.05 |
| Rotatable Bond Count | 1.0 |
| Logd | -2.065 |
| Compound Name | L-Ido-1-Deoxynojirimycin |
| 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 Lactuca Floridana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Scorzoneroides Autumnalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all