[(3R,4R,5R)-2-(6-Amino-8-Azidopurin-9-Yl)-5-Methyl-4-(2,4,6-Trinitrophenoxy)Oxolan-3-Yl]Oxy Dihydrogen Phosphate
[CAS# 120229-04-1]

Identification

• Name: [(3R,4R,5R)-2-(6-Amino-8-Azidopurin-9-Yl)-5-Methyl-4-(2,4,6-Trinitrophenoxy)Oxolan-3-Yl]Oxy Dihydrogen Phosphate
• Synonyms: [(3R,4R,5R)-2-(6-Amino-8-Azido-Purin-9-Yl)-5-Methyl-4-(2,4,6-Trinitrophenoxy)Tetrahydrofuran-3-Yl]Oxy Dihydrogen Phosphate; [(3R,4R,5R)-2-(6-Amino-8-Azido-9-Purinyl)-5-Methyl-4-(2,4,6-Trinitrophenoxy)-3-Tetrahydrofuranyl]Oxy Dihydrogen Phosphate; [(3R,4R,5R)-2-(6-Amino-8-Azido-Purin-9-Yl)-5-Methyl-4-(2,4,6-Trinitrophenoxy)Oxolan-3-Yl]Oxy Dihydrogen Phosphate
• Molecular Formula: C₁₆H₁₄N₁₁O₁₃P
• Molecular Weight: 599.33
• CAS Registry Number: 120229-04-1
• SMILES: [N+](=NC1=NC4=C([N]1C3O[C@@H]([C@@H](OC2=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C2[N+]([O-])=O)[C@H]3OO[P](=O)(O)O)C)N=CN=C4N)=[N-]
• InChI: 1S/C16H14N11O13P/c1-5-10(38-11-7(26(30)31)2-6(25(28)29)3-8(11)27(32)33)12(39-40-41(34,35)36)15(37-5)24-14-9(13(17)19-4-20-14)21-16(24)22-23-18/h2-5,10,12,15H,1H3,(H2,17,19,20)(H2,34,35,36)/t5-,10-,12-,15?/m1/s1
• InChIKey: RJGMYABIKPHMAI-MNOXHYRFSA-N