(2R,3S,4S)-2-(hydroxymethyl)piperidine-3,4-diol
PubChem CID: 10678391
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| Compound Synonyms | CHEMBL505237, SCHEMBL14916249, BDBM50379060, AKOS006353394 |
|---|---|
| Topological Polar Surface Area | 72.7 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 109.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | P23739, Q2KHZ8, P04062, Q58D55, Q2KIM0, Q02401, O88693, Q9HCG7 |
| Iupac Name | (2R,3S,4S)-2-(hydroxymethyl)piperidine-3,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | -1.4 |
| Molecular Formula | C6H13NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YZNNBIPIQWYLDM-SRQIZXRXSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.313 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.646 |
| Compound Name | (2R,3S,4S)-2-(hydroxymethyl)piperidine-3,4-diol |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.1766212000000001 |
| Inchi | InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5+,6+/m1/s1 |
| Smiles | C1CN[C@@H]([C@@H]([C@H]1O)O)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Xanthocercis Zambesiaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all