(2R,3R,4R,5R)-5-acetamido-2-(acetoxymethyl)-6-chlorotetrahydro-2H-pyran-3,4-diyl diacetate
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Basic information
- CAS
109581-83-1- Standard SMILES
CC(=O)N[C@H]1C(Cl)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O- InChIKey
NAYYKQAWUWXLPD-RQICVUQASA-N- Molecular formula
- C14H20ClNO8
- Average molar mass
- 365.76 g/mol
Names & identifiers
- Preferred name
- (2R,3R,4R,5R)-5-acetamido-2-(acetoxymethyl)-6-chlorotetrahydro-2H-pyran-3,4-diyl diacetate
- IUPAC
- [(2R,3R,4R,5R)-5-acetamido-3,4-diacetyloxy-6-chlorooxan-2-yl]methyl acetate
- English name
- N-Acetyl-1-chloro-3,4,6-tri-O-acetyl-galactosaminide
- Molecular formula
- C14H20ClNO8
- Molecular weight
- 365.76
Names & synonyms
(2R,3R,4R,5R)-5-acetamido-2-(acetoxymethyl)-6-chlorotetrahydro-2H-pyran-3,4-diyl diacetateC14H20ClNO8SCHEMBL25986398MFCD09841681SY526579[(2R,3R,4R,5R)-5-acetamido-3,4-diacetoxy-6-chloro-tetrahydropyran-2-yl]methyl acetateN-Acetyl-1-chloro-3,4,6-tri-O-acetyl-galactosaminide2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-D-galactopyranosyl chloride2-(Acetylamino)-2-deoxy-D-galactopyranosyl chloride 3,4,6-triacetate(2R,3S,4R,5R)-5-Acetamido-6-chloro-2-hydroxy-6-oxohexane-1,3,4-triyl triacetate
Database identifiers
- CAS
109581-83-1
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Boiling point
- 516.4 · 516.4±50.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 13.22 · 13.22±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
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Compound notes
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