6,8-Dioxabicyclo[3.2.1]octane-2,3,4-triol
Basic information
- CAS
14168-65-1- Standard SMILES
OC1C2COC(O2)C(O)C1O- InChIKey
TWNIBLMWSKIRAT-UHFFFAOYSA-N- Molecular formula
- C6H10O5
- Average molar mass
- 162.14 g/mol
- Monoisotopic mass
- 162.05282342
Overview
Methyl beta-L-fucopyranoside has been reported in Bulbophyllum echinolabium with data available.
Names & identifiers
- Preferred name
- 6,8-Dioxabicyclo[3.2.1]octane-2,3,4-triol
- IUPAC
- 6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
- English name
- 1,6-Anhydro-beta-D-mannopyranose
- Molecular formula
- C6H10O5
- Molecular weight
- 162.14
Names & synonyms
6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol644-76-81,6-ANHYDRO-.BETA.-D-GALACTOPYRANOSE1,6-Anhydro-b-D-galactopyranose1,6-Anhydro-|A-D-glucopyranoseNSC-13761,6-Anhydro-.beta.-D-glucopyranose.beta.-D-Glucopyranose, 1,6-anhydro-1,6-ANHYDRO-BETA-D-[UL-13C6]GLUCOSESCHEMBL195290orb1301956NSC1376
Show more names
MANNOSAND-MannosanNSC 226600LevomannosanMannosan,95%1,6-Anhydromannose1,6-Anhydro-D-mannoseAnhydro-beta-D-mannopyranose1,6-Anhydro--D-mannopyranose1,6-ANHYDRO-B-D-MANNOPYRANOSE
TWNIBLMWSKIRAT-UHFFFAOYSA-N.beta.-D-Glucopyranose,6-anhydro-NSC462431,6-Anhydro-.beta.-D-mannopyranoseEBC-12580MFCD00063642NSC226600s3319
Database identifiers
- CAS
14168-65-1、498-07-7、644-76-8- PubChem CID
- 79029
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 182 · 182-184
- Boiling point
- 383.8 · 383.8±42.0 °C(Predicted)
- Density
- 1.688 · 1.688±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly, Sonicated)
- pka
- 13.4 · 13.40±0.60(Predicted)
- form
- Solid
- color
- White to Pale Beige
- InChI
- InChI=1/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5+,6-/s3
- InChIKey
- TWNIBLMWSKIRAT-UQBCHXSJNA-N
- SMILES
- [C@@H]12CO[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)O2 |&1:0,3,4,6,8,r|
- CAS DataBase Reference
- 14168 · 14168-65-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information.beta.-D-Galactopyranose, 1,6-anhydro-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- hs_code
- 29400000
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
Description1,6-Anhydro-β-D-mannopyranose is a major organic tracer generated by burned cellulose. This compound is one of several that are used to evaluate, in atmospheric samples, the burning of wood.
UsesAn anhydro sugar with gustatory properties.
Uses1,6-ANHYDRO-BETA-D-MANNOPYRANOSE is a major organic tracer generated by burned cellulose. This compound is one of several that are used to evaluate, in atmospheric samples, the burning of wood.
UsesMonosaccharide anhydrides, new markers of toasted oak wood used for ageing wines and distillates.
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Compound notes
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