beta-D-Fructofuranoside, ethyl
PubChem CID: 11769694
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| Compound Synonyms | 1820-84-4, Ethyl beta-D-fructofuranoside, .beta.-D-Fructofuranoside, ethyl, beta-D-Fructofuranoside, ethyl, Ethyl b-D-fructofuranoside, (2R,3S,4S,5R)-2-ETHOXY-2,5-BIS(HYDROXYMETHYL)OXOLANE-3,4-DIOL, (2R,3S,4S,5R)-2-Ethoxy-2,5-bis(hydroxymethyl)tetrahydrofuran-3,4-diol, Ethyl -fructofuranoside, Ethyl, A-fructofuranoside, Ethylbeta-D-fructofuranoside, Ethyl ??-D-fructofuranoside, ethyl-beta-d-fructofuranoside, .Beta.-D-fructofuranoside,ethyl, SCHEMBL11153585, KQQFKZUGBOQKLW-OOJXKGFFSA-N, AKOS022184759, ME15654, FS-10501, DB-334310, CS-0024378, Fructofuranoside, ethyl-, -D-, Ethyl -D-fructofuranoside |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Description | Ethyl beta-d-fructofuranoside is a member of the class of compounds known as C-glycosyl compounds. C-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. Ethyl beta-d-fructofuranoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Ethyl beta-d-fructofuranoside can be found in common wheat, which makes ethyl beta-d-fructofuranoside a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 187.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | -1.2 |
| Molecular Formula | C8H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KQQFKZUGBOQKLW-OOJXKGFFSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.003 |
| Rotatable Bond Count | 4.0 |
| Logd | -1.306 |
| Compound Name | beta-D-Fructofuranoside, ethyl |
| 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 | -0.11090199999999972 |
| Inchi | InChI=1S/C8H16O6/c1-2-13-8(4-10)7(12)6(11)5(3-9)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](O1)CO)O)O)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alisma Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all