[(2R,3R,4R,5S)-6-Benzoyloxy-2,3,4,5-Tetrakis(Diaziridin-1-Ylphosphoryl Carbamoyloxy)Hexyl] Benzoate
[CAS# 47914-99-8]

Identification

• Name: [(2R,3R,4R,5S)-6-Benzoyloxy-2,3,4,5-Tetrakis(Diaziridin-1-Ylphosphoryl Carbamoyloxy)Hexyl] Benzoate
• Synonyms: Benzoic Acid [(2S,3R,4R,5R)-2,3,4,5-Tetrakis[[Bis(1-Aziridinyl)Phosphorylamino]-Oxomethoxy]-6-(Oxo-Phenylmethoxy)Hexyl] Ester; Benzoic Acid [(2S,3R,4R,5R)-6-(Benzoyloxy)-2,3,4,5-Tetrakis(Diethyleniminophosphorylcarbamoyloxy)Hexyl] Ester; [(2S,3R,4R,5R)-2,3,4,5-Tetrakis[Bis(Aziridin-1-Yl)Phosphorylcarbamoyloxy]-6-Phenylcarbonyloxy-Hexyl] Benzoate
• Molecular Formula: C₄₀H₅₄N₁₂O₁₆P₄
• Molecular Weight: 1082.83
• CAS Registry Number: 47914-99-8
• SMILES: [C@H](OC(=O)N[P](=O)(N1CC1)N2CC2)([C@H](OC(=O)N[P](=O)(N3CC3)N4CC4)[C@@H](OC(=O)N[P](=O)(N5CC5)N6CC6)COC(=O)C7=CC=CC=C7)[C@H](OC(=O)N[P](=O)(N8CC8)N9CC9)COC(=O)C%10=CC=CC=C%10
• InChI: 1S/C40H54N12O16P4/c53-35(29-7-3-1-4-8-29)63-27-31(65-37(55)41-69(59,45-11-12-45)46-13-14-46)33(67-39(57)43-71(61,49-19-20-49)50-21-22-50)34(68-40(58)44-72(62,51-23-24-51)52-25-26-52)32(28-64-36(54)30-9-5-2-6-10-30)66-38(56)42-70(60,47-15-16-47)48-17-18-48/h1-10,31-34H,11-28H2,(H,41,55,59)(H,42,56,60)(H,43,57,61)(H,44,58,62)/t31-,32+,33-,34-/m1/s1
• InChIKey: GLNDGRVJJBGDER-KMKAFXEASA-N

Properties

• Density: 1.666g/cm³ (Cal.)