Cas no 53448-69-4 (4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide; sulfuric acid)

4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide; sulfuric acid structure
53448-69-4 structure
Product Name:4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide; sulfuric acid
CAS No:53448-69-4
MF:C21H43N5O16S
MW:653.655025720596
CID:374321
PubChem ID:21144577
Update Time:2025-04-19

4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide; sulfuric acid Chemical and Physical Properties

Names and Identifiers

    • 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2
    • 4-Amino-N-{5-amino-4-[(2,6-diamino-2,6-dideoxyhexopyranosyl)oxy]- 2-hydroxy-3-(pentofuranosyloxy)cyclohexyl}-2-hydroxybutanamide su lfate (1:1)
    • butirosin A sulfate
    • 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide
    • sulfuric acid
    • Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-ribofuranosyl-(1-5))-N(sup 1)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-, (S)-, sulfate
    • Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-N(sup 1)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-, (S)-, sulfate (salt)
    • BUTIROSIN B SULFATE
    • NIOSH/WK2298500
    • 53448-69-4
    • WK22985000
    • 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide; sulfuric acid
    • Inchi： 1S/C21H41N5O12.H2O4S/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21;1-5(2,3)4/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34);(H2,1,2,3,4)/t6-,7+,8-,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,20+,21-;/m0./s1
    • InChI Key： DCBQXUQGFKXMKS-KMFTYAMCSA-N
    • SMILES： S(=O)(=O)(O)O.O([C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CN)O1)O)O)N)[C@@H]1[C@H](C[C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O)O)NC([C@H](CCN)O)=O)N

Computed Properties

  • Exact Mass: 653.243
  • Monoisotopic Mass: 653.243
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 14
  • Hydrogen Bond Acceptor Count: 20
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 10
  • Complexity: 853
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 15
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 395?2

Experimental Properties

  • Boiling Point: 947.4oC at 760mmHg
  • Flash Point: 526.8oC
  • PSA: 394.69000
  • LogP: -4.16500

4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide; sulfuric acid Related Literature

53448-69-4 (4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxy-oxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-cyclohexyl]-2-hydroxy-butanamide; sulfuric acid) Related Products

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