beta-D-Fructofuranoside, methyl
PubChem CID: 128889
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| Compound Synonyms | 13403-14-0, methyl beta-D-fructofuranoside, Methylfructoside, .beta.-D-Fructofuranoside, methyl, beta-D-Fructofuranoside, methyl, Methyl b-D-fructofuranoside, (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol, Methyl beta-D-fructoside, (2R,3S,4S,5R)-2,5-Bis(hydroxymethyl)-2-methoxytetrahydrofuran-3,4-diol, Methyl-beta-D-fructoside, methylfructosid, Methylbeta-D-fructofuranoside, Methyl-alpha-D-fructofuranoside, methyl-fructoside, Methyl -D-fructoside, Methyl, A-D-fructoside, beta-Methylfructofuranoside, YL8QCC7B5S, Methyl hex-2-ulofuranoside, CHEMBL500884, SCHEMBL8817452, DTXSID80928394, 2-O-Methyl-beta-D-fructofuranose, AKOS022184584, MM15655, FS-10311, DB-334727, CS-0023775, 2-O-Methyl--D-fructofuranose, Methyl fructofuranoside |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 174.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | -1.6 |
| Molecular Formula | C7H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JPHVNZOOBXUCDJ-MVIOUDGNSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.065 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.733 |
| Compound Name | beta-D-Fructofuranoside, methyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 194.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.14316540000000028 |
| Inchi | InChI=1S/C7H14O6/c1-12-7(3-9)6(11)5(10)4(2-8)13-7/h4-6,8-11H,2-3H2,1H3/t4-,5-,6+,7-/m1/s1 |
| Smiles | CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Afrocarpus Falcatus (Plant) Rel Props:Reference: - 5. Outgoing r'ship
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FOUND_INto/from Agave Americana (Plant) Rel Props:Reference: - 7. Outgoing r'ship
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FOUND_INto/from Agave Xylonacantha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
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FOUND_INto/from Anthemis Cretica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
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FOUND_INto/from Antiphiona Pinnatisecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
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FOUND_INto/from Calophyllum Inophyllum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 42. Outgoing r'ship
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FOUND_INto/from Menyanthes Trifoliata (Plant) Rel Props:Reference: - 94. Outgoing r'ship
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