(3R,4R,5S)-2,6-Bis-hydroxymethyl-piperidine-3,4,5-triol
PubChem CID: 44337478
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| Compound Synonyms | CHEMBL320116, CHEMBL327137, (3R,4R,5S)-2,6-Bis-hydroxymethyl-piperidine-3,4,5-triol, (3S,4S,5R)-2,6-Bis-hydroxymethyl-piperidine-3,4,5-triol, BDBM50082232, BDBM50082234 |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,5S)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol |
| Prediction Hob | 1.0 |
| Target Id | NPT6631, NPT503 |
| Xlogp | -2.4 |
| Molecular Formula | C7H15NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CLVUFWXGNIFGNC-OGDMEERJSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.047 |
| Rotatable Bond Count | 2.0 |
| Logd | -2.294 |
| Compound Name | (3R,4R,5S)-2,6-Bis-hydroxymethyl-piperidine-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 193.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 193.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 193.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.6187661999999999 |
| Inchi | InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3?,4?,5-,6+,7? |
| Smiles | C(C1[C@H](C([C@H](C(N1)CO)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaonema Treubii (Plant) Rel Props:Source_db:cmaup_ingredients