1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium,2,3,6,7,12,13,16,17-octahydro-9-[4-[[[(7R)-4-hydroxy-4-oxido-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacos-1-yl]amino]sulfonyl]-2-sulfophenyl]-, inner salt, compd. with N,N-diethylethanamine (1:1)


Chemical Name: 1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium,2,3,6,7,12,13,16,17-octahydro-9-[4-[[[(7R)-4-hydroxy-4-oxido-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacos-1-yl]amino]sulfonyl]-2-sulfophenyl]-, inner salt, compd. with N,N-diethylethanamine (1:1)
CAS Number: 187099-99-6
Product Number: AG00ALV7(AGN-PC-0QG722)
Synonyms:
MDL No: MFCD03458649
Molecular Formula: C74H117N4O14PS2
Molecular Weight: 1381.8429

Identification/Properties


Computed Properties
Molecular Weight:
1381.858g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
17
Rotatable Bond Count:
46
Exact Mass:
1380.775g/mol
Monoisotopic Mass:
1380.775g/mol
Topological Polar Surface Area:
247A^2
Heavy Atom Count:
95
Formal Charge:
0
Complexity:
2580
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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