Cas no 28979-71-7 (4-O-[2-O-[4-O-β-D-Mannopyranosyl-2-(methylamino)-2-deoxy-α-L-glucopyranosyl]-3-formyl-α-L-lyxofuranosyl]-N,N'-bis(aminoiminomethyl)-D-streptamine)

4-O-[2-O-[4-O-β-D-Mannopyranosyl-2-(methylamino)-2-deoxy-α-L-glucopyranosyl]-3-formyl-α-L-lyxofuranosyl]-N,N'-bis(aminoiminomethyl)-D-streptamine structure
28979-71-7 structure
Product Name:4-O-[2-O-[4-O-β-D-Mannopyranosyl-2-(methylamino)-2-deoxy-α-L-glucopyranosyl]-3-formyl-α-L-lyxofuranosyl]-N,N'-bis(aminoiminomethyl)-D-streptamine
CAS No:28979-71-7
MF:C27H49N7O18
MW:759.714068174362
CID:270528
Update Time:2024-02-29

4-O-[2-O-[4-O-β-D-Mannopyranosyl-2-(methylamino)-2-deoxy-α-L-glucopyranosyl]-3-formyl-α-L-lyxofuranosyl]-N,N'-bis(aminoiminomethyl)-D-streptamine Chemical and Physical Properties

Names and Identifiers

    • 4)-O-2-deoxy-2-(methylamino)-a-L-glucopyranosyl-(1&reg
    • 2)-O-3-C-formyl-a-L-lyxofuranosyl-(1&reg
    • 4)-N,N'-bis(aminoiminomethyl)-(9CI)
    • StreptomycinB, hydroxy- (7CI)
    • 4-O-[2-O-[4-O-β-D-Mannopyranosyl-2-(methylamino)-2-deoxy-α-L-glucopyranosyl]-3-formyl-α-L-lyxofuranosyl]-N,N'-bis(aminoiminomethyl)-D-streptamine
    • Hydroxystreptomycin B
    • CID 101285914
    • 4-O-[2-O-[4-O-β-D-Mannopyranosyl-2-(methylamino)-2-deoxy-α-L-glucopyranosyl]-3-C-formyl-α-L-lyxofuranosyl]-N,N'-bis(aminoiminomethyl)-D-streptamine
    • Mannisidohydroxystreptomycin
    • 4-O-[2-O-[4-O-(β-D-Mannopyranosyl)-2-(methylamino)-2-deoxy-α-L-glucopyranosyl]-3-C-formyl-α-L-lyxofuranosyl]-N,N'-bis[amino(imino)methyl]streptamine
    • D-Streptamine, O-β-D-mannopyranosyl-(1→4)-O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1→2)-O-3-C-formyl-α-L-lyxofuranosyl-(1→4)-N,N'-bis(aminoiminomethyl)- (9CI)
    • Inchi： 1S/C27H49N7O18/c1-32-11-15(42)19(50-23-18(45)16(43)12(39)6(2-35)47-23)7(3-36)48-22(11)52-21-24(49-8(4-37)27(21,46)5-38)51-20-10(34-26(30)31)13(40)9(33-25(28)29)14(41)17(20)44/h5-24,32,35-37,39-46H,2-4H2,1H3,(H4,28,29,33)(H4,30,31,34)/t6-,7+,8+,9+,10-,11+,12-,13+,14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,27-/m1/s1
    • InChI Key： HEYNPFLSQIQLQR-GYNMTZKJSA-N
    • SMILES： O([C@H]1[C@@H]([C@@](C=O)([C@H](CO)O1)O)O[C@H]1[C@H]([C@@H]([C@H]([C@H](CO)O1)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)NC)[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1/N=C(/N)\N)O)/N=C(\N)/N)O)O

Computed Properties

  • Exact Mass: 759.313
  • Monoisotopic Mass: 759.313
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 16
  • Hydrogen Bond Acceptor Count: 21
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 13
  • Complexity: 1250
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 20
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 436

Experimental Properties

  • Density: 2.08±0.1 g/cm3(Predicted)
  • Boiling Point: 1075.9±75.0 °C(Predicted)
  • pka: 11.24±0.70(Predicted)

4-O-[2-O-[4-O-β-D-Mannopyranosyl-2-(methylamino)-2-deoxy-α-L-glucopyranosyl]-3-formyl-α-L-lyxofuranosyl]-N,N'-bis(aminoiminomethyl)-D-streptamine Related Literature

28979-71-7 (4-O-[2-O-[4-O-β-D-Mannopyranosyl-2-(methylamino)-2-deoxy-α-L-glucopyranosyl]-3-formyl-α-L-lyxofuranosyl]-N,N'-bis(aminoiminomethyl)-D-streptamine) Related Products

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