(2S,3S,4R,5S,6R)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID: 139919652
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 131.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2S,3S,4R,5S,6R)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Prediction Hob | 0.0 |
| Xlogp | -2.9 |
| Molecular Formula | C7H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HAIWUXASLYEWLM-OVHBTUCOSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.326 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.714 |
| Compound Name | (2S,3S,4R,5S,6R)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 210.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.8158716 |
| Inchi | InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3-,4-,5-,6+,7+/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@H]([C@@H]([C@@](O1)(CO)O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Microstigma (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chrozophora Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients