[(3aR,4R,6R,6aR)-6-(6-Amino-8-Azidopurin-9-Yl)-1',2',4'-Trinitrospiro[3a,4,6,6a-Tetrahydrofuro[4,3-d][1,3]Dioxole-2,5'-Cyclohexa-1,3-Diene]-4-Yl]Methyl Hydrogen Phosphate
[CAS# 141096-03-9]

Identification

• Name: [(3aR,4R,6R,6aR)-6-(6-Amino-8-Azidopurin-9-Yl)-1',2',4'-Trinitrospiro[3a,4,6,6a-Tetrahydrofuro[4,3-d][1,3]Dioxole-2,5'-Cyclohexa-1,3-Diene]-4-Yl]Methyl Hydrogen Phosphate
• Synonyms: [(3Ar,4R,6R,6Ar)-6-(6-Amino-8-Azido-Purin-9-Yl)-1',2',4'-Trinitro-Spiro[3A,4,6,6A-Tetrahydrofuro[4,3-D][1,3]Dioxole-2,5'-Cyclohexa-1,3-Diene]-4-Yl]Methyl Hydrogen Phosphate; [(3Ar,4R,6R,6Ar)-6-(6-Amino-8-Azido-9-Purinyl)-1',2',4'-Trinitro-4-Spiro[3A,4,6,6A-Tetrahydrofuro[4,3-D][1,3]Dioxole-2,5'-Cyclohexa-1,3-Diene]Yl]Methyl Hydrogen Phosphate; 5'-Adenylic Acid, 8-Azido-2',3'-O-(2,4,6-Trinitro-2,4-Cyclohexadien-1-Ylidene)-, Ion(1-)
• Molecular Formula: C₁₆H₁₃N₁₁O₁₃P
• Molecular Weight: 598.32
• CAS Registry Number: 141096-03-9
• SMILES: [N+](=NC1=NC5=C([N]1[C@@H]2O[C@@H]([C@H]3OC4(O[C@@H]23)C(=CC(=C([N+]([O-])=O)C4)[N+]([O-])=O)[N+]([O-])=O)CO[P]([O-])(=O)O)N=CN=C5N)=[N-]
• InChI: 1S/C16H14N11O13P/c17-12-9-13(20-4-19-12)24(15(21-9)22-23-18)14-11-10(7(38-14)3-37-41(34,35)36)39-16(40-11)2-6(26(30)31)5(25(28)29)1-8(16)27(32)33/h1,4,7,10-11,14H,2-3H2,(H2,17,19,20)(H2,34,35,36)/p-1/t7-,10-,11-,14-,16?/m1/s1
• InChIKey: WYMVSLKONRLTSR-DXXSKVHTSA-M