Benzylidene glucose
PubChem CID: 100089
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| Compound Synonyms | Benzylidene glucose, alpha-D-glucopyranose, 4,6-O-(phenylmethylene)-, 4,6-Benzylidene-D-glucose, 25152-90-3, NSC 333861, 2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol, MLS003170843, P-1013, 4-O,6-O-Benzylidene-alpha-D-glucopyranose, Oprea1_571051, CHEMBL1986984, SCHEMBL12032224, BG, MFCD00057743, NSC243486, NSC333861, AKOS030212689, NSC-243486, NSC-333861, NCI60_002922, SMR001874760, SY224230, .alpha.-D-glucopyranose,6-O-(phenylmethylene)-, .alpha.-D-Glucopyranose, 4,6-O-(phenylmethylene)-, 2-PHENYL-HEXAHYDRO-2H-PYRANO[3,2-D][1,3]DIOXINE-6,7,8-TRIOL, (8R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol |
|---|---|
| Topological Polar Surface Area | 88.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Description | 4,6-benzylidene-d-glucose, also known as benzylidene glucopyranose, is a member of the class of compounds known as pyranodioxins. Pyranodioxins are polycyclic compounds containing a pyranodioxin moiety, which consists of a pyran ring fused to a dioxin ring. 4,6-benzylidene-d-glucose is soluble (in water) and a very weakly acidic compound (based on its pKa). 4,6-benzylidene-d-glucose can be found in fig, which makes 4,6-benzylidene-d-glucose a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 306.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol |
| Nih Violation | False |
| Class | Pyranodioxins |
| Xlogp | -0.7 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Molecular Formula | C13H16O6 |
| Inchi Key | FOLRUCXBTYDAQK-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | &alpha, -D-glucopyranose, 4,6-O-(phenylmethylene)-, 4,6-O-Benzylidene-D-galactose, alpha-D-Glucopyranose, 4,6-O-(phenylmethylene)-, Benzylidene glucopyranose, Benzylidene glucose |
| Compound Name | Benzylidene glucose |
| Kingdom | Organic compounds |
| Exact Mass | 268.095 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 268.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 268.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C13H16O6/c14-9-10(15)12(16)18-8-6-17-13(19-11(8)9)7-4-2-1-3-5-7/h1-5,8-16H,6H2 |
| Smiles | C1C2C(C(C(C(O2)O)O)O)OC(O1)C3=CC=CC=C3 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Pyranodioxins |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:fooddb_chem_all