N-acetyl-4,6-(4-oxy-benzylidene)glycosamine
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Basic information
- CAS
69358-24-3- Standard SMILES
CC(=O)N[C@@H](C=O)[C@@H](O)[C@@H]1OC(c2ccc(O)cc2)OC[C@H]1O- InChIKey
JEZDXZPOCZJMDU-HHKCZIBZSA-N- Molecular formula
- C15H19NO7
- Average molar mass
- 325.31 g/mol
- Monoisotopic mass
- 325.11615195
Overview
RN given refers to (D)-isomer
Names & identifiers
- Preferred name
- N-acetyl-4,6-(4-oxy-benzylidene)glycosamine
- IUPAC
- N-[(1R,2R)-1-hydroxy-1-[(4S,5R)-5-hydroxy-2-(4-hydroxyphenyl)-1,3-dioxan-4-yl]-3-oxopropan-2-yl]acetamide
- English name
- N-acetyl-4,6-(4-oxy-benzylidene)glycosamine
- Molecular formula
- C15H19NO7
- Molecular weight
- 325.31
Names & synonyms
69358-24-3N-Acetyl-4,6-(4-oxy-benzylidene)glycosamineN-Acetyl-4-6-(p-oxy-benzylidene)glycosamineN-Acetyl-4-6-(4-oxy-benzylidene)glycosamineN-Acetyl-4-6-(p-oxy-benzylidene)-D-glycosamineD-Glucose, 2-(acetylamino)-2-deoxy-4,6-O-((4-hydroxyphenyl)methylene)-RefChem:162548N-[(1R,2R)-1-hydroxy-1-[(4S,5R)-5-hydroxy-2-(4-hydroxyphenyl)-1,3-dioxan-4-yl]-3-oxopropan-2-yl]acetamideDTXSID709891162-Deoxy-2-[(1-hydroxyethylidene)amino]-4,6-O-[(4-hydroxyphenyl)methylidene]-D-glucose2-Deoxy-2-[(1-hydroxyethylidene)amino]-4,6-O-[(4-hydroxyphenyl)methylidene]hexose
Database identifiers
- CAS
69358-24-3- PubChem CID
- 189745
- DTXSID
DTXSID70989116
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 661.954 · 661.954±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.755 · 9.755±0.30(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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