n-Butyl-beta-d-fructopyranoside
PubChem CID: 50914217
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| Compound Synonyms | n-butyl-beta-d-fructopyranoside, 67884-27-9, (2R,3S,4R,5R)-2-butoxy-2-(hydroxymethyl)oxane-3,4,5-triol, n-Butyl-, A-D-fructopyranoside, Cardozin, n-Butyl b-D-fructopyranoside, n-Butyl-??-D-fructopyranoside, SCHEMBL5011706, HY-N9702, AKOS040762961, MB74053, DA-56052, CS-0203591, (2R,3S,4R,5R)-2-Butoxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 211.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4R,5R)-2-butoxy-2-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -1.0 |
| Molecular Formula | C10H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NAJPAGUETSZHOG-DOLQZWNJSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.404 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.825 |
| Compound Name | n-Butyl-beta-d-fructopyranoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 236.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.3133367999999999 |
| Inchi | InChI=1S/C10H20O6/c1-2-3-4-15-10(6-11)9(14)8(13)7(12)5-16-10/h7-9,11-14H,2-6H2,1H3/t7-,8-,9+,10-/m1/s1 |
| Smiles | CCCCO[C@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achyranthes Bidentata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aconitum Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Artemisia Arbuscula (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Cheilanthes Mysurensis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Citrus Reshni (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Dacrycarpus Imbricatus (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Lonchocarpus Urucu (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Myristica Argentea (Plant) Rel Props:Source_db:cmaup_ingredients