4-nitrophenyl Tetra(2-acetamido-2-deoxy-D-glucopyranosyl)triphosphatetriammonium salt
[CAS# 141334-39-6]

Identification

• Name: 4-nitrophenyl Tetra(2-acetamido-2-deoxy-D-glucopyranosyl)triphosphatetriammonium salt
• Synonyms: Triammonium (2R,3S,4R,6R)-6-[(2S,4R,5R,6S)-2-[(2R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Peroxy-3-[Acetamido-[2-[[2-[[2-(Hydroxy-Oxo-Phosphaniumyl)Acetyl]Amino]-4-Nitro-Phenoxy]-Oxo-Phosphaniumyl]Acetyl]Amino]-6-[[[(2R,4R,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Peroxy-Oxo-Phosphaniumyl]-Hydroxy-Methyl]-5-Hydroxy-Tetrahydropyran-4-Yl]Peroxy-2-(Oxidomethyl)Tetrahydropyran-3,4-Diolate; Triammonium (2R,3S,4R,6R)-6-[[(2S,4R,5R,6S)-2-[[(2R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Dioxy]-3-[Acetamido-[2-[[2-[[2-(Hydroxy-Oxophosphaniumyl)-1-Oxoethyl]Amino]-4-Nitrophenoxy]-Oxophosphaniumyl]-1-Oxoethyl]Amino]-6-[[[(2R,4R,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Dioxy-Oxophosphaniumyl]-Hydroxymethyl]-5-Hydroxy-4-Tetrahydropyranyl]Dioxy]-2-(Oxidomethyl)Tetrahydropyran-3,4-Diolate; Triammonium (2R,3S,4R,6R)-6-[(2S,4R,5R,6S)-2-[(2R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Peroxy-3-[Acetamido-[2-[[2-[[2-(Hydroxy-Keto-Phosphaniumyl)Acetyl]Amino]-4-Nitro-Phenoxy]-Keto-Phosphaniumyl]Acetyl]Amino]-6-[[[(2R,4R,5S,6R)-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Peroxy-Keto-Phosphaniumyl]-Hydroxy-Methyl]-5-Hydroxy-Tetrahydropyran-4-Yl]Peroxy-2-(Oxidomethyl)Tetrahydropyran-3,4-Diolate
• Molecular Formula: C₃₈H₆₆N₈O₃₂P₃
• Molecular Weight: 1239.90
• CAS Registry Number: 141334-39-6
• SMILES: [C@@H]3(OO[C@H]1O[C@@H]([C@@H]([O-])[C@H]([O-])C1)C[O-])C(N(NC(=O)C)C(=O)C[P+](OC2=C(NC(=O)C[P+](O)=O)C=C([N+]([O-])=O)C=C2)=O)[C@@H](O[C@@H]([C@H]3O)C([P+](OO[C@H]4O[C@@H]([C@@H](O)[C@H](O)C4)CO)=O)O)OO[C@H]5O[C@@H]([C@@H](O)[C@H](O)C5NC(=O)C)CO.[NH4+].[NH4+].[NH4+]
• InChI: 1S/C38H54N5O32P3.3H3N/c1-13(47)39-27-32(56)31(55)22(10-46)67-37(27)72-73-38-28(42(41-14(2)48)24(52)12-77(63)74-19-4-3-15(43(59)60)5-16(19)40-23(51)11-76(61)62)34(71-69-25-6-17(49)29(53)20(8-44)65-25)33(57)35(68-38)36(58)78(64)75-70-26-7-18(50)30(54)21(9-45)66-26;;;/h3-5,17-18,20-22,25-38,45-46,50,54-58H,6-12H2,1-2H3,(H,39,47)(H,40,51)(H,41,48)(H,61,62);3*1H3/p+3/t17-,18-,20-,21-,22-,25-,26-,27?,28?,29+,30+,31-,32-,33+,34-,35+,36?,37-,38+;;;/m1.../s1
• InChIKey: AHCITEWHMUTRRH-DHKBBINDSA-Q