undecaazanium;[(1S,2R,3R,4S,5S,6R)-2-(6-benzamidohexoxy)-3-(phosphonatoamino)-4,5,6-triphosphonatooxycyclohexyl] phosphate
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undecaazanium;[(1S,2R,3R,4S,5S,6R)-2-(6-benzamidohexoxy)-3-(phosphonatoamino)-4,5,6-triphosphonatooxycyclohexyl] phosphate
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CAS No:
861893-33-6
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Formula:
C19H69N13O21P5+
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Chemical Name:
undecaazanium;[(1S,2R,3R,4S,5S,6R)-2-(6-benzamidohexoxy)-3-(phosphonatoamino)-4,5,6-triphosphonatooxycyclohexyl] phosphate
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Synonyms:
861893-33-6;Myo-Inositol, 5-O-[6-(benzoylamino)hexyl]-, 1,2,3,4,6-pentakis(dihydrogen phosphate), decaammonium salt
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CAS No:
undecaazanium;[(1S,2R,3R,4S,5S,6R)-2-(6-benzamidohexoxy)-3-(phosphonatoamino)-4,5,6-triphosphonatooxycyclohexyl] phosphate Basic Attributes
970.7 g/mol
970.34190625 g/mol
Computed Properties
Molecular Weight:970.7
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:14
Exact Mass:970.34190625
Monoisotopic Mass:970.34190625
Topological Polar Surface Area:414
Heavy Atom Count:58
Formal Charge:1
Complexity:1200
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:12
Compound Is Canonicalized:Yes
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