Cas no 80763-86-6 (b-D-Glucopyranose,2-deoxy-2-[(3-pyridinylcarbonyl)amino]-, 1,3,4,6-tetra-3-pyridinecarboxylate)

b-D-Glucopyranose,2-deoxy-2-[(3-pyridinylcarbonyl)amino]-, 1,3,4,6-tetra-3-pyridinecarboxylate structure
80763-86-6 structure
Product Name:b-D-Glucopyranose,2-deoxy-2-[(3-pyridinylcarbonyl)amino]-, 1,3,4,6-tetra-3-pyridinecarboxylate
CAS No:80763-86-6
MF:C36H28N6O10
MW:704.641728401184
CID:721463
PubChem ID:6917785
Update Time:2025-04-19

b-D-Glucopyranose,2-deoxy-2-[(3-pyridinylcarbonyl)amino]-, 1,3,4,6-tetra-3-pyridinecarboxylate Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranose,2-deoxy-2-[(3-pyridinylcarbonyl)amino]-, 1,3,4,6-tetra-3-pyridinecarboxylate
    • Glunicate
    • LG-13979
    • Glunicato
    • CHEMBL2106431
    • 2-DEOXY-2-NICOTINAMIDO-.BETA.-D-GLUCOPYRANOSE 1,3,4,6-TETRANICOTINATE
    • C62ZH19B0L
    • 2-Deoxy-2-nicotinamido-beta-D-glucopyranose 1,3,4,6-tetranicotinate
    • Glunicatum [Latin]
    • UNII-C62ZH19B0L
    • SCHEMBL1383300
    • [(2R,3S,4R,5R,6S)-5-(pyridine-3-carbonylamino)-3,4,6-tris(pyridine-3-carbonyloxy)oxan-2-yl]methyl pyridine-3-carboxylate
    • Q27275242
    • beta-D-Glucopyranose, 2-deoxy-2-((3-pyridinylcarbonyl)amino)-, 1,3,4,6-tetra-3-pyridinecarboxylate
    • Glunicato [Spanish]
    • Glunicatum
    • 80763-86-6
    • GLUNICATE [MART.]
    • Glunicate [INN]
    • Inchi： 1S/C36H28N6O10/c43-31(22-6-1-11-37-16-22)42-28-30(51-34(46)25-9-4-14-40-19-25)29(50-33(45)24-8-3-13-39-18-24)27(21-48-32(44)23-7-2-12-38-17-23)49-36(28)52-35(47)26-10-5-15-41-20-26/h1-20,27-30,36H,21H2,(H,42,43)/t27-,28-,29-,30-,36+/m1/s1
    • InChI Key： ZLNMZWDQJJAEAM-QPBDZWBWSA-N
    • SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1COC(C1C=NC=CC=1)=O)OC(C1C=NC=CC=1)=O)OC(C1C=NC=CC=1)=O)NC(C1C=NC=CC=1)=O)OC(C1C=NC=CC=1)=O

Computed Properties

  • Exact Mass: 704.18700
  • Monoisotopic Mass: 704.18669111g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 15
  • Complexity: 1240
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 208?2

Experimental Properties

  • PSA: 207.98000
  • LogP: 3.04100

b-D-Glucopyranose,2-deoxy-2-[(3-pyridinylcarbonyl)amino]-, 1,3,4,6-tetra-3-pyridinecarboxylate Related Literature

Related Categories

80763-86-6 (b-D-Glucopyranose,2-deoxy-2-[(3-pyridinylcarbonyl)amino]-, 1,3,4,6-tetra-3-pyridinecarboxylate) Related Products

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