Cas no 103867-06-7 (4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S)-3,6-diamino-1-oxohexyl]amino]-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-5-methyl-,(3aS,7aR)- (9CI))

4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S)-3,6-diamino-1-oxohexyl]amino]-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-5-methyl-,(3aS,7aR)- (9CI) structure
103867-06-7 structure
Product Name:4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S)-3,6-diamino-1-oxohexyl]amino]-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-5-methyl-,(3aS,7aR)- (9CI)
CAS No:103867-06-7
MF:C20H36N8O7
MW:500.549243927002
CID:177293
PubChem ID:175953
Update Time:2024-02-29

4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S)-3,6-diamino-1-oxohexyl]amino]-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-5-methyl-,(3aS,7aR)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S)-3,6-diamino-1-oxohexyl]amino]-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-5-methyl-,(3aS,7aR)- (9CI)
    • [5-(3,6-diaminohexanoylamino)-3-hydroxy-2-(hydroxymethyl)-6-[(5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)amino]oxan-4-yl] carbamate
    • 4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S)-3,6-diamino-1-oxohexyl...
    • 4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S)-3,6-diamino-1-oxohexyl]amino]-b-D-gulopyranosyl]amino
    • albothricin
    • 4H-Imidazo(4,5-c)pyridin-4-one, 1,3a,5,6,7,7a-hexahydro-2-((4-O-(aminocarbonyl)-2-deoxy-2-((3,6-diamino-1-oxohexyl)amino)-beta-D-gulopyranosyl)amino)-5-methyl-, (3aS-(2(R*),3a-alpha,7a-beta))-
    • 4H-Imidazo(4,5-c)pyridin-4-one, 2-((4-O-(aminocarbonyl)-2-deoxy-2-((3,6-diamino-1-oxohexyl)amino)-beta-D-gulopyranosyl)amino)-1,3a,5,6,7,7a-hexahydro-5-methyl-, (3aS-(2(R*),3aalpha,7abeta))-
    • (3aS,7aR)-2-[[4-O-Carbamoyl-2-[[(S)-3,6-diamino-1-oxohexyl]amino]-2-deoxy-β-D-glucopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-5-methyl-4H-imidazo[4,5-c]pyridin-4-one
    • 4H-Imidazo[4,5-c]pyridin-4-one, 2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S)-3,6-diamino-1-oxohexyl]amino]-β-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-5-methyl-, (3aS,7aR)- (9CI)
    • DTXSID70908645
    • 2-Deoxy-2-[(3,6-diamino-1-hydroxyhexylidene)amino]-3-O-[hydroxy(imino)methyl]-N-(5-methyl-4-oxo-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-2-yl)hexopyranosylamine
    • Inchi： 1S/C20H36N8O7/c1-28-6-4-10-13(18(28)32)26-20(24-10)27-17-14(25-12(30)7-9(22)3-2-5-21)15(31)16(35-19(23)33)11(8-29)34-17/h9-11,13-17,29,31H,2-8,21-22H2,1H3,(H2,23,33)(H,25,30)(H2,24,26,27)/t9-,10+,11+,13-,14+,15-,16-,17+/m0/s1
    • InChI Key： OMOKIMHQSCTDRA-VYWONHCISA-N
    • SMILES： [C@@H]1(NC2N[C@]3([H])CCN(C)C(=O)[C@@]3([H])N=2)O[C@@H]([C@H](OC(=O)N)[C@@H](O)[C@H]1NC(=O)C[C@@H](N)CCCN)CO

Computed Properties

  • Exact Mass: 500.27098
  • Monoisotopic Mass: 500.270696
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 11
  • Complexity: 814
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 240
  • Surface Charge: 0
  • Tautomer Count: 24
  • XLogP3: -3.8

Experimental Properties

  • Density: 1.74
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.74
  • PSA: 239.88
  • LogP: -1.53450

4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S)-3,6-diamino-1-oxohexyl]amino]-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-5-methyl-,(3aS,7aR)- (9CI) Related Literature

Related Categories

103867-06-7 (4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[(3S)-3,6-diamino-1-oxohexyl]amino]-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-5-methyl-,(3aS,7aR)- (9CI)) Related Products

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