[4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate
Basic information
- CAS
57865-92-6- Standard SMILES
COC1CC(NC(C)=O)C(OC(=O)c2ccccc2)C(CBr)O1- InChIKey
JZLAUALBZXMLIS-XGUBFFRZSA-N- Molecular formula
- C16H20BrNO5
- Average molar mass
- 386.24 g/mol
- Monoisotopic mass
- 385.05249
Names & identifiers
- Preferred name
- [4-Acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate
- IUPAC
- [4-acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate
- English name
- Methyl 3-Acetylamino-4-O-benzoyl-6-bromo-2,3,6-trideoxy -α-D-ribo-hexopyranoside
- Molecular formula
- C16H20BrNO5
- Molecular weight
- 386.24
Names & synonyms
[4-acetamido-2-(bromomethyl)-6-methoxyoxan-3-yl] benzoate57865-92-663554-16-54-(acetylamino)-2-(bromomethyl)-6-methoxytetrahydro-2H-pyran-3-yl benzoateMLS003107268NSC266497Methyl 3-acetamido-4-O-benzoyl-6-bromo-2,3,6-trideoxy-a-D-ribo-hexopyranosideCHEMBL2134274DTXSID40973461NSC276416MM09727NSC-266497
Show more names
NSC 266479Methyl 3-Acetylamino-4-O-benzoyl-6-bromo-2,3,6-trideoxy-a-D-ribo-hexopyranosideMethyl 3-(Acetylamino)-6-bromo-2,3,6-trideoxy-a-D-ribo-hexopyranoside 4-BenzoateMethyl 3-Acetylamino-4-O-benzoyl-6-bromo-2,3,6-trideoxy -α-D-ribo-hexopyranosideMethyl 3-(Acetylamino)-6-bromo-2,3,6-trideoxy-α-D-ribo-hexopyranoside 4-Benzoateα-D-ribo-Hexopyranoside, methyl 3-(acetylamino)-6-bromo-2,3,6-trideoxy-, 4-benzoate
NSC-276416SMR001822141AG-650/41069385Methyl 4-O-benzoyl-6-bromo-2,3,6-trideoxy-3-[(1-hydroxyethylidene)amino]hexopyranoside
Database identifiers
- CAS
57865-92-6、63554-16-5- PubChem CID
- 320174
- DTXSID
DTXSID40973461- ChEMBL
CHEMBL2134274
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Melting point
- 180 °C · 180°C
- Boiling point
- 540.433 · 540.433±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.424 · 1.424±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Chloroform, Dichloromethane
- form
- Solid
- pka
- 14.197 · 14.197±0.70(predicted)
- color
- Tan
- CAS DataBase Reference
- 57865 · 57865-92-6
Chemistry & industry
Applications
UsesMethyl 3-Acetylamino-4-O-benzoyl-6-bromo-2,3,6-trideoxy_x000D_-α-D-ribo-hexopyranoside (cas# 57865-92-6) is a compound useful in organic synthesis.
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