(2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID: 11073391
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| Compound Synonyms | (2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol, 105017-31-0, 2-Pyrrolidinemethanol, 3-hydroxy-, (2R,3S)-, CHEMBL408355, 2R-Hydroxymethyl-3S-hydroxypyrolidine, starbld0039766, SCHEMBL532466, CHEBI:230349, TYLFLHPQWQQWRD-UHNVWZDZSA-N, BDBM50375512, AKOS006349734, 1,4-imino-1,2,4-trideoxy-D-arabinitol, (2R,3S)-2-(hydroxymethyl)-3-hydroxypyrrolidine |
|---|---|
| Topological Polar Surface Area | 52.5 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 76.8 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P35573, P23739 |
| Iupac Name | (2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol |
| Prediction Hob | 1.0 |
| Target Id | NPT514 |
| Xlogp | -0.8 |
| Molecular Formula | C5H11NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TYLFLHPQWQQWRD-UHNVWZDZSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.699 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.476 |
| Compound Name | (2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 117.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 117.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 117.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.02151759999999986 |
| Inchi | InChI=1S/C5H11NO2/c7-3-4-5(8)1-2-6-4/h4-8H,1-3H2/t4-,5+/m1/s1 |
| Smiles | C1CN[C@@H]([C@H]1O)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Commiphora Sphaerocarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Erythrina Speciosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Helichrysum Drakensbergense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Piper Divaricatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Prosopis Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Prunus Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Richteria Pyrethroides (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Santolina Pectinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Satureja Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all