(2R,4R,5R,6R)-4-(hydroxymethyl)-6-methyloxane-2,5-diol
PubChem CID: 22524486
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 69.9 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,4R,5R,6R)-4-(hydroxymethyl)-6-methyloxane-2,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C7H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BNXOUFNLXOGIOT-GBNDHIKLSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.065 |
| Rotatable Bond Count | 1.0 |
| Logd | -1.678 |
| Compound Name | (2R,4R,5R,6R)-4-(hydroxymethyl)-6-methyloxane-2,5-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 162.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5464469999999999 |
| Inchi | InChI=1S/C7H14O4/c1-4-7(10)5(3-8)2-6(9)11-4/h4-10H,2-3H2,1H3/t4-,5-,6-,7+/m1/s1 |
| Smiles | C[C@@H]1[C@@H]([C@H](C[C@@H](O1)O)CO)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Adonis Amurensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Strophanthus Divaricatus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Strophanthus Sarmentosus (Plant) Rel Props:Source_db:cmaup_ingredients