Cas no 111337-84-9 (L-threo-Hexonamide,3-amino-N-(3-amino-3-iminopropyl)-2,3,4,6-tetradeoxy-6-[[(2E,4E)-1-oxo-2,4-hexadien-1-yl]amino]-)

L-threo-Hexonamide,3-amino-N-(3-amino-3-iminopropyl)-2,3,4,6-tetradeoxy-6-[[(2E,4E)-1-oxo-2,4-hexadien-1-yl]amino]- structure
111337-84-9 structure
Product Name:L-threo-Hexonamide,3-amino-N-(3-amino-3-iminopropyl)-2,3,4,6-tetradeoxy-6-[[(2E,4E)-1-oxo-2,4-hexadien-1-yl]amino]-
CAS No:111337-84-9
MF:C15H27N5O3
MW:325.406583070755
CID:171084
PubChem ID:6444138
Update Time:2025-04-19

L-threo-Hexonamide,3-amino-N-(3-amino-3-iminopropyl)-2,3,4,6-tetradeoxy-6-[[(2E,4E)-1-oxo-2,4-hexadien-1-yl]amino]- Chemical and Physical Properties

Names and Identifiers

    • L-threo-Hexonamide,3-amino-N-(3-amino-3-iminopropyl)-2,3,4,6-tetradeoxy-6-[[(2E,4E)-1-oxo-2,4-hexadien-1-yl]amino]-
    • (3R,5R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4E)-hexa-2,4-dienoyl]amino]-5-hydroxyhexanamide
    • sperabillin C
    • (2E,4E)-N-[(2R,4R)-4-amino-6-{[(3Z)-3-amino-3-iminopropyl]amino}-2-hydroxy-6-oxohexyl]hexa-2,4-dienamide (non-preferred name)
    • L-threo-Hexonamide, 3-amino-N-(3-amino-3-iminopropyl)-2,3,4,6-tetradeoxy-6-((1-oxo-2,4-hexadienyl)amino)-, (E,E)-
    • (2E,4E)-N-((2R,4R)-4-amino-6-((3-amino-3-iminopropyl)amino)-2-hydroxy-6-oxohexyl)hexa-2,4-dienamide
    • 111337-84-9
    • AKOS040747493
    • Sperabillin A
    • Antibiotic TAN 749A
    • Antibiotic TAN 749C
    • Inchi： 1S/C15H27N5O3/c1-2-3-4-5-14(22)20-10-12(21)8-11(16)9-15(23)19-7-6-13(17)18/h2-5,11-12,21H,6-10,16H2,1H3,(H3,17,18)(H,19,23)(H,20,22)/b3-2+,5-4+/t11-,12-/m1/s1
    • InChI Key： OAXPQNCOMDEHMJ-IFCBYPGCSA-N
    • SMILES： O[C@@H](CNC(/C=C/C=C/C)=O)C[C@H](CC(NCCC(=N)N)=O)N

Computed Properties

  • Exact Mass: 325.21139
  • Monoisotopic Mass: 325.21139
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 11
  • Complexity: 448
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 154
  • XLogP3: -1.9

Experimental Properties

  • Density: 1.22
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.562
  • PSA: 161.30000
  • LogP: 2.32650

L-threo-Hexonamide,3-amino-N-(3-amino-3-iminopropyl)-2,3,4,6-tetradeoxy-6-[[(2E,4E)-1-oxo-2,4-hexadien-1-yl]amino]- Related Literature

Related Categories

111337-84-9 (L-threo-Hexonamide,3-amino-N-(3-amino-3-iminopropyl)-2,3,4,6-tetradeoxy-6-[[(2E,4E)-1-oxo-2,4-hexadien-1-yl]amino]-) Related Products

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