2-Chloro-1-[(1R,3S,4S,5S,8S)-4,8-dihydroxy-3-methoxy-2-oxa-6-azabicyclo[3.2.1]octan-6-YL]ethanone
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Basic information
- CAS
172926-30-6- Standard SMILES
CO[C@H]1O[C@@H]2CN(C(=O)CCl)[C@H]([C@@H]1O)[C@@H]2O- InChIKey
OOLIJRCIVXLOFW-WTZHZCGUSA-N- Molecular formula
- C9H14ClNO5
- Average molar mass
- 251.66 g/mol
- Monoisotopic mass
- 251.0560502
Names & identifiers
- Preferred name
- 2-Chloro-1-[(1R,3S,4S,5S,8S)-4,8-dihydroxy-3-methoxy-2-oxa-6-azabicyclo[3.2.1]octan-6-YL]ethanone
- IUPAC
- 2-chloro-1-[(1R,3S,4S,5S,8S)-4,8-dihydroxy-3-methoxy-2-oxa-6-azabicyclo[3.2.1]octan-6-yl]ethanone
- English name
- Methyl-3,6-dideoxychloroacetaMido-α-D-Mannopyranoside
- Molecular formula
- C9H14ClNO5
- Molecular weight
- 251.66
Names & synonyms
172926-30-62-CHLORO-1-[(1R,3S,4S,5S,8S)-4,8-DIHYDROXY-3-METHOXY-2-OXA-6-AZABICYCLO[3.2.1]OCTAN-6-YL]ETHANONEMETHYL-3,6-DIDEOXYCHLOROACETAMIDO-ALPHA-D-MANNOPYRANOSIDEDTXSID60455133FT-0671677Methyl-3,6-dideoxychloroacetamido-?-D-mannopyranoside2-Chloro-1-[(1R,3S,4S,5S,8S)-4,8-dihydroxy-3-methoxy-2-oxa-6-azabicyclo[3.2.1]octan-6-yl]ethan-1-oneMethyl-3,6-dideoxychloroacetamido-α-D-mannopyranosideMethyl-3,6-dideoxychloroacetamido-α-D-mannopyranoside, CAS 172926-30-62-chloro-1-(4,8-dihydroxy-3-methoxy-2-oxa-6-azabicyclo[3.2.1]octan-6-yl)ethanone[1R-(3-exo,4-endo,8-syn)]-6-(Chloroacetyl)-3-Methoxy-2-oxa-6-azabicyclo[3.2.1]octane-4,8-diol2-Oxa-6-azabicyclo[3.2.1]octane-4,8-diol, 6-(chloroacetyl)-3-methoxy-, [1R-(3-exo,4-endo,8-syn)]- (9CI)
Database identifiers
- CAS
172926-30-6- PubChem CID
- 11097050
- DTXSID
DTXSID60455133
Properties
Computed structural propertiesFilling in
- XLogP
- -1.3
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 490 · 490.0±45.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- form
- Brown Liquid
- pka
- 12.71 · 12.71±0.60(Predicted)
Chemistry & industry
Applications
UsesMethyl-3,6-dideoxychloroacetamido-α-D-mannopyranoside is used in the process for the preparation of immunostimulating swainsonine analogs.
UsesMethyl-3,6-dideoxychloroacetamido-α-D-mannopyranoside is used in the process for the preparation of immunostimulating swainsonine analogs.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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