beta-D-Glucopyranose, 1,6-anhydro-, triacetate
Basic information
- CAS
13242-55-2- Standard SMILES
CC(=O)OC1C2COC(O2)C(OC(C)=O)C1OC(C)=O- InChIKey
BAKQMOSGYGQJOJ-UHFFFAOYSA-N- Molecular formula
- C12H16O8
- Average molar mass
- 288.25 g/mol
- Monoisotopic mass
- 288.08451746
Names & identifiers
- Preferred name
- beta-D-Glucopyranose, 1,6-anhydro-, triacetate
- IUPAC
- (3,4-diacetyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl) acetate
Names & synonyms
.beta.-D-Glucopyranose, 1,6-anhydro-, triacetatebeta-D-Glucopyranose, 1,6-anhydro-, triacetateRefChem:567491Levoglucosan, triacetateTriacetyllevoglucosanIdosan triacetateEINECS 236-222-11,6-Anhydro-beta-D-glucose triacetate1,6-Anhydro-.beta.-D-glucopyranose triacetateSCHEMBL7924602BAKQMOSGYGQJOJ-UHFFFAOYSA-NNSC25284
Show more names
NSC 25284NSC-25284SBB001700STK762568AKOS001740978NCGC00336232-01ST4054500.beta.-D-Glucopyranose,6-anhydro-, triacetate
Database identifiers
- CAS
13242-55-2- PubChem CID
- 95629
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
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-Glucopyranose, 1,6-anhydro-, triacetate: Does not have an individual approval but may be used under an appropriate group standard
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Related reactions
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Compound notes
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