3,4,5-Piperidinetriol, 2-methyl-, (2S,3R,4S,5R)-
PubChem CID: 122618
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| Compound Synonyms | Deoxyfuconojirimycin, 99212-30-3, (2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol, 1,2,6-Trideoxy-2,6-imino-D-galactitol, 1,5-Dideoxy-1,5-iminofucitol, CHEMBL314772, 3,4,5-Piperidinetriol, 2-methyl-, (2S,3R,4S,5R)-, 2-methylpiperidine-3,4,5-triol, Deoxyfuco-nojirimycin, 1-Deoxyfuconojirimycin, L-fuco-Deoxynojirimycin, Fucosidase Inhibitor, 3, 1-Deoxyfuconojirimycin HCl, SCHEMBL4378188, DTXSID60912837, CHEBI:132866, VYOCYWDJTQRZLC-KCDKBNATSA-N, 1-Deoxyfuconojirimycin hydrochloride, 1,5-Dideoxy-1,5-imino-L-fucitol, BDBM50065258, AKOS006283710, MD06117, D-Galactitol, 1,2,6-trideoxy-2,6-imino-, (2S,3R,4S,5R)-2-Methyl-piperidine-3,4,5-triol, Q27459214 |
|---|---|
| Topological Polar Surface Area | 72.7 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 120.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | P04066, Q9BTY2, P06280, Q2KIM0, Q58D55, Q42656, P17164 |
| Iupac Name | (2S,3R,4S,5R)-2-methylpiperidine-3,4,5-triol |
| Prediction Hob | 1.0 |
| Target Id | NPT503, NPT5152 |
| Xlogp | -1.9 |
| Molecular Formula | C6H13NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VYOCYWDJTQRZLC-KCDKBNATSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.047 |
| Rotatable Bond Count | 0.0 |
| Logd | -1.406 |
| Compound Name | 3,4,5-Piperidinetriol, 2-methyl-, (2S,3R,4S,5R)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 147.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 147.09 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 147.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.06652120000000006 |
| Inchi | InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(8)2-7-3/h3-10H,2H2,1H3/t3-,4+,5+,6-/m0/s1 |
| Smiles | C[C@H]1[C@H]([C@H]([C@@H](CN1)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