Basic information
- CAS
130342-76-6- Standard SMILES
CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)(c3ccc([N+](=O)[O-])cc3)[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)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
KXIQPDVYLGHXRM-CGIWRCCYSA-N- Molecular formula
- C44H68N2O33
- Average molar mass
- 1,153 g/mol
- Monoisotopic mass
- 1,152.3704326
Overview
substrate for human amylase assay; structure given in first source
Names & identifiers
- Preferred name
- 4-Nitrophenyl-3(5)-O-N-acetylglucosaminyl-maltopentaoside
- IUPAC
- N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(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]oxan-3-yl]acetamide
- English name
- 4-nitrophenyl-3(5)-O-N-acetylglucosaminyl-maltopentaoside
- Molecular formula
- C44H68N2O33
- Molecular weight
- 1153
Names & synonyms
4-Npagmp4-Nitrophenyl-3(5)-O-N-acetylglucosaminyl-maltopentaoside130342-76-6DTXSID60156456RefChem:100127DTXCID1078947N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(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]oxan-3-yl]acetamidealpha-D-Glucopyranosyl 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(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-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-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
130342-76-6- PubChem CID
- 196835
- DTXSID
DTXSID60156456
Properties
Computed structural properties
- XLogP
- -10
- Topological polar surface area
- 561 Ų
- Hydrogen bond donors
- 20
- Hydrogen bond acceptors
- 33
- Rotatable bonds
- 18
- Heavy atoms
- 79
- Formal charge
- 0
- Complexity
- 1,940
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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