4-nitrophenyl-O-6-deoxy-6-((2-pyridyl)amino)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-alpha-D-glucopyranoside
Basic information
- CAS
100111-14-6- Standard SMILES
O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](O)C(O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CCNc7ccccn7)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1- InChIKey
WLPQWCDFBKIWRM-AIIKDWCUSA-N- Molecular formula
- C41H59N3O27
- Average molar mass
- 1,025.9 g/mol
- Monoisotopic mass
- 1,025.33359361
Names & identifiers
- Preferred name
- 4-nitrophenyl-O-6-deoxy-6-((2-pyridyl)amino)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-alpha-D-glucopyranoside
- IUPAC
- (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2S,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[2-(pyridin-2-ylamino)ethyl]oxane-3,4,5-triol
- English name
- 4-Nitrophenyl-6'''''-deoxy-6'''''-(2-pyridylamino)-alpha-D-penta-(1->4)-glucopyranoside
- Molecular formula
- C41H59N3O27
- Molecular weight
- 1025.91
Names & synonyms
FG5P4-Nitrophenyl-O-6-deoxy-6-((2-pyridyl)amino)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-alpha-D-glucopyranosideRefChem:100135100111-14-6(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2S,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2,4,5-trihydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[2-(pyridin-2-ylamino)ethyl]oxane-3,4,5-triolSCHEMBL30538872AKOS0158948414-Nitrophenyl 6-deoxy-6-(2-pyridylamino)-alpha-D-penta-(1-4)-glucopyranosidealpha-D-Glucopyranoside, 4-nitrophenyl O-6-deoxy-6-(2-pyridinylamino)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-4)glucopy-Deoxy-6’4-Nitrophenyl6’alpha-amylase substrate
Properties
Computed structural properties
- XLogP
- -7.5
- Topological polar surface area
- 466 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 29
- Rotatable bonds
- 17
- Heavy atoms
- 71
- Formal charge
- 0
- Complexity
- 1,640
Physicochemical properties
- Boiling point
- 1299.877 · 1299.877±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.758 · 1.758±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 12.428 · 12.428±0.70(predicted)
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- F
- 8 · 8-10-21
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
- F
- 8-10-21
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Applications
Uses4-Nitrophenyl 6''-Deoxy-6''-(2-pyridylamino)-a-D-penta-(1-4)-glucopyranoside is a substrate for the fluorometric assay of α-amylase.
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Compound notes
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