2-Hydroxymethylpiperidine-3,4-diol
PubChem CID: 3553645
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| Compound Synonyms | 2-hydroxymethylpiperidine-3,4-diol, 1092651-12-1, SCHEMBL359991, 3,4-dihydroxy-2-piperidinemethanol, DB-347140, DS-000037 |
|---|---|
| Topological Polar Surface Area | 72.7 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | YZNNBIPIQWYLDM-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Substituent Name | Piperidine, Secondary alcohol, 1,2-diol, 1,2-aminoalcohol, Azacycle, Secondary amine, Secondary aliphatic amine, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Organonitrogen compound, Amine, Alcohol, Aliphatic heteromonocyclic compound |
| Synonyms | 1,2,5-Trideoxy-1,5-imino-D-arabino-hexitol, 3,4-Piperidinediol, 2-(hydroxymethyl)-, (2R,3R,4R)-, D-arabino-Hexitol, 1,2,5-trideoxy-1,5-imino-, FAG, Fagomine, 2-(Hydroxymethyl)-(2R,3R,4R)-3,4-piperidinediol, 3-Epifagomine, 4-Epifagomine |
| Heavy Atom Count | 10.0 |
| Compound Name | 2-Hydroxymethylpiperidine-3,4-diol |
| Kingdom | Organic compounds |
| Description | Alkaloid from buckwheat seeds (Fagopyrum esculentum). Fagomine is found in common buckwheat and cereals and cereal products. |
| Exact Mass | 147.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 147.09 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 109.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 147.17 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)piperidine-3,4-diol |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Piperidines |
| Inchi | InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2 |
| Smiles | C1CNC(C(C1O)O)CO |
| Xlogp | -1.4 |
| Superclass | Organoheterocyclic compounds |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C6H13NO3 |
- 1. Outgoing r'ship
FOUND_INto/from Fagopyrum Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all