(2S,3R,4S,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
PubChem CID: 102191387
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| Topological Polar Surface Area | 131.0 |
|---|---|
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 187.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (2S,3R,4S,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol |
| Prediction Hob | 0.0 |
| Xlogp | -3.2 |
| Molecular Formula | C7H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BGWQRWREUZVRGI-GVUNPQSCSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.122 |
| Rotatable Bond Count | 2.0 |
| Logd | -2.455 |
| Compound Name | (2S,3R,4S,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]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 | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.0111716000000004 |
| Inchi | InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3+,4-,5-,6-,7+/m1/s1 |
| Smiles | C([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Actinacantha (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Inula Hupehensis (Plant) Rel Props:Source_db:cmaup_ingredients