(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[(2S,3R)-1,3,4-trihydroxybutan-2-yl]oxyoxane-3,4,5-triol
PubChem CID: 162854900
Connections displayed (default: 10).
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| Topological Polar Surface Area | 160.0 |
|---|---|
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[(2S,3R)-1,3,4-trihydroxybutan-2-yl]oxyoxane-3,4,5-triol |
| Prediction Hob | 0.0 |
| Xlogp | -4.0 |
| Molecular Formula | C10H20O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DUUKYOAVWFMSKJ-ZVMZQBCWSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.146 |
| Rotatable Bond Count | 6.0 |
| Logd | -2.812 |
| Compound Name | (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[(2S,3R)-1,3,4-trihydroxybutan-2-yl]oxyoxane-3,4,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.111 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 284.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.2946818000000007 |
| Inchi | InChI=1S/C10H20O9/c11-1-4(14)5(2-12)18-10-9(17)8(16)7(15)6(3-13)19-10/h4-17H,1-3H2/t4-,5+,6-,7-,8+,9+,10-/m1/s1 |
| Smiles | C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H](CO)[C@@H](CO)O)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Sampsonii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Morinda Lucida (Plant) Rel Props:Source_db:cmaup_ingredients