Basic information
- CAS
80763-86-6- Standard SMILES
O=C(N[C@H]1[C@H](OC(=O)c2cccnc2)OC(COC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1- InChIKey
ZLNMZWDQJJAEAM-VRELJSORSA-N- Molecular formula
- C36H28N6O10
- Average molar mass
- 704.6 g/mol
- Monoisotopic mass
- 704.18669111
Overview
See also: Glunicate (annotation moved to).
Names & identifiers
- Preferred name
- 2-Deoxy-2-{[hydroxy(pyridin-3-yl)methylidene]amino}-1,3,4,6-tetra-O-(pyridine-3-carbonyl)hexopyranose
- IUPAC
- [(3S,4R,5R,6S)-5-(pyridine-3-carbonylamino)-3,4,6-tris(pyridine-3-carbonyloxy)oxan-2-yl]methyl pyridine-3-carboxylate
- English name
- Glunicate
- Molecular formula
- C36H28N6O10
- Molecular weight
- 704.64
Names & synonyms
DTXSID201001487NS00127248(5xi)-2-Deoxy-2-{[hydroxy(pyridin-3-yl)methylidene]amino}-1,3,4,6-tetra-O-(pyridine-3-carbonyl)-beta-D-xylo-hexopyranose2-Deoxy-2-{[hydroxy(pyridin-3-yl)methylidene]amino}-1,3,4,6-tetra-O-(pyridine-3-carbonyl)hexopyranoseLG-13979Glunicate2-[(3-Pyridinylcarbonyl)amino]-2-deoxy-β-D-glucopyranose 1,3,4,6-tetra(3-pyridinecarboxylate)β-D-Glucopyranose, 2-deoxy-2-[(3-pyridinylcarbonyl)amino]-, 1,3,4,6-tetra-3-pyridinecarboxylate2-[[(Pyridin-3-yl)carbonyl]amino]-2-deoxy-β-D-glucopyranose 1,3,4,6-tetrakis(3-pyridinecarboxylate)
Database identifiers
- CAS
80763-86-6- PubChem CID
- 71243
- DTXSID
DTXSID201001487
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 15
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,240
Physicochemical properties
- Boiling point
- 893.3 · 893.3±65.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 9.86 · 9.86±0.70(Predicted)
- FDA UNII
- 62 ZH19B0L · C62ZH19B0L
Chemistry & industry
Suppliers4 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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