(2S,3S,4S,5R)-2-(Hydroxymethyl)-5-methylpyrrolidine-3,4-diol
PubChem CID: 12085983
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| Compound Synonyms | CHEMBL502230, 330594-46-2, (2S,3S,4S,5R)-2-(Hydroxymethyl)-5-methylpyrrolidine-3,4-diol, 2,5-Imino-1,2,5-trideoxy-L-glucitol, SCHEMBL1650553, BDBM50242268, AKOS006353866 |
|---|---|
| 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 | Q6P7A9, P23739, Q4FZV0, Q42656, Q58D55, Q2KIM0 |
| Iupac Name | (2S,3S,4S,5R)-2-(hydroxymethyl)-5-methylpyrrolidine-3,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | -1.3 |
| Molecular Formula | C6H13NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YRBKDBZXOAEMOT-VANKVMQKSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.493 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.965 |
| Compound Name | (2S,3S,4S,5R)-2-(Hydroxymethyl)-5-methylpyrrolidine-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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.13252120000000006 |
| Inchi | InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(2-8)7-3/h3-10H,2H2,1H3/t3-,4+,5+,6+/m1/s1 |
| Smiles | C[C@@H]1[C@@H]([C@H]([C@@H](N1)CO)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angylocalyx Pynaertii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all