2-Chloroethyl alpha-L-fucopyranoside
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Basic information
- CAS
491593-36-3- Standard SMILES
C[C@@H]1O[C@@H](OCCCl)[C@@H](O)[C@H](O)[C@@H]1O- InChIKey
NVKRALSJYXPFIY-FMGWEMOISA-N- Molecular formula
- C8H15ClO5
- Average molar mass
- 226.65 g/mol
- Monoisotopic mass
- 226.0608013
Names & identifiers
- Preferred name
- 2-Chloroethyl alpha-L-fucopyranoside
- IUPAC
- (2R,3S,4R,5S,6S)-2-(2-chloroethoxy)-6-methyloxane-3,4,5-triol
- English name
- 2-Chloroethyl α-L-fucopyranoside
- Molecular formula
- C8H15ClO5
- Molecular weight
- 226.65
Names & synonyms
491593-36-32-Chloroethyl alpha-L-fucopyranoside(2R,3S,4R,5S,6S)-2-(2-chloroethoxy)-6-methyl-tetrahydropyran-3,4,5-triol(2R,3S,4R,5S,6S)-2-(2-chloroethoxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol2-Chloroethyl α-L-fucopyranosideα-L-Galactopyranoside, 2-chloroethyl 6-deoxy-
Database identifiers
- CAS
491593-36-3- PubChem CID
- 102133392
- Nikkaji
- J3.300.294G
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 383.3 · 383.3±42.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 13.01 · 13.01±0.70(Predicted)
- HS Code
- 2938909090 · 2938909090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2938909090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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