4-Amino-n-{5-amino-4-[(2,6-diamino-2,6-dideoxyhexopyranosyl)oxy]-2-hydroxy-3-(pentofuranosyloxy)cyclohexyl}-2-hydroxybutanamide

Base Information

• Chemical Name: 4-Amino-n-{5-amino-4-[(2,6-diamino-2,6-dideoxyhexopyranosyl)oxy]-2-hydroxy-3-(pentofuranosyloxy)cyclohexyl}-2-hydroxybutanamide
• CAS No.: 98530-76-8
• Molecular Formula: C21H41N5O12
• Molecular Weight: 0.00000
• DSSTox Substance ID: DTXSID40860625
• Wikidata: Q105326543
• Mol file: 98530-76-8.mol

Synonyms:C21H41N5O12;D0KE3S;4-amino-n-{5-amino-4-[(2,6-diamino-2,6-dideoxyhexopyranosyl)oxy]-2-hydroxy-3-(pentofuranosyloxy)cyclohexyl}-2-hydroxybutanamide;SCHEMBL19944113;DTXSID40860625;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-;LS-16557;LS-147025;FT-0770477;98530-76-8

Chemical Property of 4-Amino-n-{5-amino-4-[(2,6-diamino-2,6-dideoxyhexopyranosyl)oxy]-2-hydroxy-3-(pentofuranosyloxy)cyclohexyl}-2-hydroxybutanamide

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: -7.3
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 10
• Exact Mass: 555.27517176
• Heavy Atom Count: 38
• Complexity: 772

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C(C(C(C1NC(=O)C(CCN)O)O)OC2C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CN)O)O)N)N
• Recent EU Clinical Trials: Efficacy and Safety of Drotrecogin Alfa (Activated) in Adult Patients with Septic Shock
• Uses: 4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide can be used in the treatment of sepsis, stroke, and acute thrombotic diseases with high mortality and/or morbidity.