Beta-Homofuconojirimycin
PubChem CID: 469851
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| Compound Synonyms | Beta-Homofuconojirimycin, CHEMBL87474, b-Homofuconojirimycin, (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methylpiperidine-3,4,5-triol, .beta.-L-homofuconojirimycin, BDBM50065257, (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methyl-piperidine-3,4,5-triol, (2R,3R,4R,5R,6S)-2-Hydroxymethyl-6-methyl-piperidine-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 93.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | P04066, Q2KIM0 |
| Iupac Name | (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methylpiperidine-3,4,5-triol |
| Prediction Hob | 1.0 |
| Target Id | NPT503 |
| Xlogp | -1.9 |
| Molecular Formula | C7H15NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZEWFPWKROPWRKE-CQOGJGKDSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.161 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.824 |
| Compound Name | Beta-Homofuconojirimycin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 177.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 177.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 177.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.33695999999999987 |
| Inchi | InChI=1S/C7H15NO4/c1-3-5(10)7(12)6(11)4(2-9)8-3/h3-12H,2H2,1H3/t3-,4+,5+,6+,7+/m0/s1 |
| Smiles | C[C@H]1[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 Angylocalyx Braunii (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Angylocalyx Oligophyllus (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Angylocalyx Pynaertii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all