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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