[(1R,2S,4S,5S)-4-[2-Iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate tetraammoniate
[CAS# 779323-43-2]

Identification

• Name: [(1R,2S,4S,5S)-4-[2-Iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate tetraammoniate
• Synonyms: (1R,2S,4S,5S)-4-[2-Iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hexane-1-methanol dihydrogen phosphate ester tetraammonium salt; [779323-43-2]
• Molecular Formula: C₁₃H₃₀IN₉O₈P₂
• Molecular Weight: 629.28
• CAS Registry Number: 779323-43-2
• SMILES: CNC1=C2C(=NC(=N1)I)N(C=N2)[C@H]3C[C@@H]([C@]4([C@@H]3C4)COP(=O)(O)O)OP(=O)(O)O.N.N.N.N
• InChI: 1S/C13H18IN5O8P2.4H3N/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22;;;;/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25);4*1H3/t6-,7+,8+,13+;;;;/m1..../s1
• InChIKey: FVTFHHDVLNQSME-AVAGOIHISA-N

Properties

• Refractive index: (Cal.)
• solubility: Soluble to 100 mM in water