Ethyl beta-fructopyranoside
PubChem CID: 6325163
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| Compound Synonyms | ethyl beta-fructopyranoside |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 187.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4R,5R)-2-ethoxy-2-(hydroxymethyl)oxane-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | -1.9 |
| Molecular Formula | C8H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SNKSMYJJYVZUMV-OOJXKGFFSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.121 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.411 |
| Compound Name | Ethyl beta-fructopyranoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 208.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.28299800000000014 |
| Inchi | InChI=1S/C8H16O6/c1-2-13-8(4-9)7(12)6(11)5(10)3-14-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8-/m1/s1 |
| Smiles | CCO[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 Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gentiana Tibetica (Plant) Rel Props:Source_db:cmaup_ingredients