Basic information
- CAS
140694-63-9- Standard SMILES
O=[N+]([O-])c1ccc([C@]2(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1- InChIKey
PCADUOFTAUWLRD-OQPKCWLPSA-N- Molecular formula
- C42H65NO33
- Average molar mass
- 1,112 g/mol
- Monoisotopic mass
- 1,111.3438835
Overview
structure given in first source; a human alpha-amylase substrate used in colorimetric assays
Names & identifiers
- Preferred name
- 4-nitrophenyl 4(5)-O-galactosylmaltopentaoside
- IUPAC
- (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6R)-6-(4-nitrophenyl)-3,4,5,6-tetrakis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
- English name
- 4-nitrophenyl 4(5)-O-galactosylmaltopentaoside
- Molecular formula
- C42H65NO33
- Molecular weight
- 1111.95
Names & synonyms
4-Nitrophenyl 4(5)-O-galactosylmaltopentaoside140694-63-9DTXSID40161462RefChem:100090DTXCID6083953LG5PIp-Nitrophenyl 4(5)-O-beta-galactosyl-alpha-maltopentaosidealpha-D-Glucopyranoside, 4-nitrophenyl O-beta-D-galactopyranosyl-(1-4)-O-alpha-D-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-alpha-D-Glucopyranosyl beta-D-galactopyranosyl-(1->6)-[alpha-D-glucopyranosyl-(1->2)]-[alpha-D-glucopyranosyl-(1->3)]-[alpha-D-glucopyranosyl-(1->4)]-1-C-(4-nitrophenyl)-alpha-D-glucopyranosideα-D-Glucopyranoside, 4-nitrophenyl O-β-D-galactopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-
Database identifiers
- CAS
140694-63-9- PubChem CID
- 3083325
- DTXSID
DTXSID40161462
Properties
Computed structural properties
- XLogP
- -10
- Topological polar surface area
- 552 Ų
- Hydrogen bond donors
- 20
- Hydrogen bond acceptors
- 33
- Rotatable bonds
- 17
- Heavy atoms
- 76
- Formal charge
- 0
- Complexity
- 1,820
Physicochemical properties
- Boiling point
- 1383.385 · 1383.385±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.835 · 1.835±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.428 · 12.428±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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