6,8-Dioxabicyclo[3.2.1]octane-2,3,4-triol
PubChem CID: 79029
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| Compound Synonyms | 6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol, 644-76-8, 1,6-ANHYDRO-.BETA.-D-GALACTOPYRANOSE, 1,6-Anhydro-D-galactose, 1,6-anhydro-beta-d-galactopyranose, 1,6-ANHYDRO-BETA-D-[UL-13C6]GLUCOSE, 1,6-Anhydro-b-D-mannopyranose, NSC-1376, 1,6-Anhydro-.beta.-D-glucopyranose, SCHEMBL195290, NSC1376, (1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (non-preferred name), TWNIBLMWSKIRAT-UHFFFAOYSA-N, .beta.-D-Glucopyranose,6-anhydro-, NSC46243, 1,6-Anhydro-.beta.-D-mannopyranose, BBL012771, NSC226600, STK776257, AKOS005618211, AB86117, NSC-226600, SY048722, VS-03503, EN300-329207, AE-641/00354041, AG-205/25001012, 1,6-Anhydro-.beta.-D-glucopyranose (levoglucosan), 6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol (non-preferred name) |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | TWNIBLMWSKIRAT-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Substituent Name | Oxepane, Oxane, Monosaccharide, Meta-dioxolane, Secondary alcohol, Polyol, 1,2-diol, Oxacycle, Ether, Acetal, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic heteropolycyclic compound |
| Synonyms | &beta, -D-Glucopyranose, 1,6-anhydro-, 1,6-Anhydro-&beta, -D-glucopyranose, 1,6-Anhydro-&beta, -D-glucopyranose (levoglucosan), 1,6-Anhydro-b-D-glucopyranose, 1,6-Anhydro-b-D-glucose, 1,6-Anhydro-b-glucopyranose, 1,6-Anhydro-beta-D-glucopyranose, 1,6-Anhydro-beta-D-glucose, 1,6-Anhydro-beta-delta-glucopyranose, 1,6-Anhydro-beta-delta-glucose, 1,6-Anhydro-beta-glucopyranose, 1,6-Anhydro-D-glucose, 1,6-Anhydro-delta-glucose, 1,6-Anhydro-β-D-glucose, 1,6-Anhydro-β-glucopyranose, 1,6-Anhydroglucose, 6,8-Dioxabicyclo[3.2.1]octane b-D-glucopyranose deriv., 6,8-Dioxabicyclo[3.2.1]octane b-delta-glucopyranose deriv., Anhydro-d-mannosan, Anhydro-delta-mannosan, L-Glucosan, Leucoglucosan, Levoglucosan |
| Heavy Atom Count | 11.0 |
| Compound Name | 6,8-Dioxabicyclo[3.2.1]octane-2,3,4-triol |
| Kingdom | Organic compounds |
| Description | Glucosan is a monosaccharide anhydride compound present in biomass combustion smoke, and is a tracer for biomass burning sources in atmospheric aerosol particles. A product of cellulose combustion, when cellulose is heated to over 300 degree centigrade, it undergoes various pyrolytic processes, yielding a highly combustible tar, a major constituent of which is glucosan, a dehydrated glucose containing a ketal functional group., Glucosan is a saccharide constituent of human urine, detected with one-dimensional thin-layer chromatography, and further studied by gas chromatography-mass spectrometry. It was identified in approximately 20% of all urine samples investigated. Excretory levels varied widely from zero up to 5.3 mmol/l. (PMID: 3757263, 16448658, 16317539). Glucosan is found in sweet orange. |
| Exact Mass | 162.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.053 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 162.14 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Oxepanes |
| Inchi | InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2 |
| Smiles | C1C2C(C(C(C(O1)O2)O)O)O |
| Xlogp | -2.1 |
| Superclass | Organoheterocyclic compounds |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C6H10O5 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all