Spyqwytvwzbehs-fsdsqadbsa-
PubChem CID: 10419725
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| Compound Synonyms | CHEMBL247666, SCHEMBL6135379, SPYQWYTVWZBEHS-FSDSQADBSA-, BDBM50234562, 1,4-dideoxy-1,4-(hydroxyethyliminiumyl)-D-arabinitol, 1,4-Dideoxy-1,4-imino-(hydroxyethyliminiumyl)-D-arabinitol, InChI=1/C7H15NO4/c9-2-1-8-3-6(11)7(12)5(8)4-10/h5-7,9-12H,1-4H2/t5-,6-,7-/m1/s1 |
|---|---|
| Topological Polar Surface Area | 84.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 143.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | P35573, P23739, I3LIR5, Q4FZV0, Q58D55, Q2KIM0, Q42656, Q6P7A9, P07265 |
| Iupac Name | (2R,3R,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)pyrrolidine-3,4-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT514 |
| Xlogp | -1.9 |
| Molecular Formula | C7H15NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SPYQWYTVWZBEHS-FSDSQADBSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.009 |
| Rotatable Bond Count | 3.0 |
| Logd | -2.181 |
| Compound Name | Spyqwytvwzbehs-fsdsqadbsa- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 177.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 177.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 177.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.48786 |
| Inchi | InChI=1S/C7H15NO4/c9-2-1-8-3-6(11)7(12)5(8)4-10/h5-7,9-12H,1-4H2/t5-,6-,7-/m1/s1 |
| Smiles | C1[C@H]([C@@H]([C@H](N1CCO)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