(2S,3R,4R)-2-amino-2,4-bis(hydroxymethyl)oxolan-3-ol
PubChem CID: 163039862
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 95.9 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 143.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S,3R,4R)-2-amino-2,4-bis(hydroxymethyl)oxolan-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | -2.3 |
| Molecular Formula | C6H13NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QDIJCXQNFONUPZ-PBXRRBTRSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.451 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.83 |
| Compound Name | (2S,3R,4R)-2-amino-2,4-bis(hydroxymethyl)oxolan-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 163.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 163.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 163.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.7167273999999998 |
| Inchi | InChI=1S/C6H13NO4/c7-6(3-9)5(10)4(1-8)2-11-6/h4-5,8-10H,1-3,7H2/t4-,5-,6+/m1/s1 |
| Smiles | C1[C@H]([C@H]([C@@](O1)(CO)N)O)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Neesiana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Magnolia Ovata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Phlogacanthus Curviflorus (Plant) Rel Props:Source_db:cmaup_ingredients