4-Nitrophenyl 6'-deoxy-6'-(2-pyridylamino)-alpha-D-pentalpha-(1-4)-glucopyranoside
Basic information
- CAS
6691-22-1- Standard SMILES
O=[N+]([O-])c1ccc(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CNc7ccccn7)C(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)cc1- InChIKey
WLPQWCDFBKIWRM-UHFFFAOYSA-N- Molecular formula
- C41H59N3O27
- Average molar mass
- 1,025.9 g/mol
- Monoisotopic mass
- 1,025.33359361
Names & identifiers
- Preferred name
- 4-Nitrophenyl 6'-deoxy-6'-(2-pyridylamino)-alpha-D-pentalpha-(1-4)-glucopyranoside
- IUPAC
- 2-[6-[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-[(pyridin-2-ylamino)methyl]oxane-3,4,5-triol
Names & synonyms
4-Nitrophenyl 6'-deoxy-6'-(2-pyridylamino)-alpha-D-pentalpha-(1-4)-glucopyranoside6691-22-1AC1NQIM5DTXSID604111534-Nitrophenyl 6-deoxy-6-[(pyridin-2-yl)amino]hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranoside
Database identifiers
- CAS
6691-22-1- PubChem CID
- 5222473
- DTXSID
DTXSID60411153
Properties
Computed structural properties
- XLogP
- -7.9
- 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
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Compound notes
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