Cas no 51022-98-1 (D-Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-)

D-Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy- structure
51022-98-1 structure
Product Name:D-Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-
CAS No:51022-98-1
MF:C21H45N5O20S2
MW:751.733505010605
CID:376643
PubChem ID:51051602
Update Time:2025-04-19

D-Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy- Chemical and Physical Properties

Names and Identifiers

    • D-Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-
    • BUTIROSIN DISULFATE
    • BUTIROSIN SULFATE
    • D-Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-N(sup 1)-(4-amino-2-hydr
    • ambutyrosinsulfate
    • butirosin,sulfate(salt)
    • 4-amino-N-[(1S,2R,3S,4S,5R)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid
    • Anhydrous Butirosin Sulfate
    • 51022-98-1
    • 4-amino-N-((1S,2R,3S,4S,5R)-5-amino-4-((2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxytetrahydro-2H-pyran-2-yloxy)-3-((2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yloxy)-2-hydroxycyclohexyl)-2-hydroxybutanamide bis(sulfate)
    • Inchi： 1S/C21H41N5O12.2H2O4S/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;2*1-5(2,3)4/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34);2*(H2,1,2,3,4)/t6-,7+,8?,9-,10-,11-,12-,13-,14+,15-,16-,17+,18+,20-,21+;;/m1../s1
    • InChI Key： JBEJXNWZBGTDKN-ZTBQNREWSA-N
    • SMILES： S(=O)(=O)(O)O.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(CCN)O)=O)N

Computed Properties

  • Exact Mass: 751.21000
  • Monoisotopic Mass: 751.20993119g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 16
  • Hydrogen Bond Acceptor Count: 24
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 10
  • Complexity: 853
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 14
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 478?2

Experimental Properties

  • PSA: 477.67000
  • LogP: -3.73700
  • pka: pKa (water): 5.5, 7.2, 8.5, 9.4(at 25℃)
  • Specific Rotation: D25 +29° (c = 2 in water)

D-Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy- Security Information

  • WGK Germany：3
  • Hazard Category Code： 61-20/21/22
  • Safety Instruction： 53-22-36/37/39-45-36
  • RTECS：EN2246000
  • Hazardous Material Identification： T Xn
  • Toxicity：LD50 i.v. in mice: 450-500 mg/kg (Howells)
  • Risk Phrases：R61; R20/21/22

D-Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy- Related Literature

51022-98-1 (D-Streptamine, O-2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-) Related Products

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