alpha-Xylopyranose, tetraacetate
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Basic information
- CAS
1233-03-0- Standard SMILES
CC(=O)O[C@H]1OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O- InChIKey
MJOQJPYNENPSSS-YVECIDJPSA-N- Molecular formula
- C13H18O9
- Average molar mass
- 318.28 g/mol
- Monoisotopic mass
- 318.09508215
Names & identifiers
- Preferred name
- alpha-Xylopyranose, tetraacetate
- IUPAC
- [(3R,4S,5R,6R)-4,5,6-triacetyloxyoxan-3-yl] acetate
- English name
- .alpha.-Xylopyranose, tetraacetate
- Molecular formula
- C13H18O9
- Molecular weight
- 318.28
Names & synonyms
.ALPHA.-XYLOPYRANOSE, TETRAACETATERefChem:555960alpha-Xylopyranose, tetraacetate1233-03-01,2,3,4-Tetra-O-acetyl-alpha-D-xylopyranose4257-98-1(2R,3R,4S,5R)-Tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate1,2,3,4-Tetra-O-acetylpentopyranose #.alpha.-D-Xylopyranose, tetraacetateXylopyranose, tetraacetate, .alpha.-D-SCHEMBL5350100[(3R,4S,5R,6R)-4,5,6-triacetyloxyoxan-3-yl] acetate
Show more names
DTXSID20512675MFCD09864646
Database identifiers
- CAS
1233-03-0- PubChem CID
- 12907258
- DTXSID
DTXSID20512675- Nikkaji
- J119.588C
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Melting point
- 57 · 57-59 °C
- Boiling point
- 362.9 · 362.9±42.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
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.alpha.-Xylopyranose, tetraacetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Related reactions
0 records
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Compound notes
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