Sodium [(3aR,4R,6R,6aR)-6-(6-Aminopurin-9-Yl)-1',3',5'-Trinitrospiro[3a,4,6,6a-Tetrahydrofuro[4,3-d][1,3]Dioxole-2,6'-Cyclohexa-1,3-Diene]-4-Yl]Methanolate
[CAS# 74792-78-2]

Identification

• Name: Sodium [(3aR,4R,6R,6aR)-6-(6-Aminopurin-9-Yl)-1',3',5'-Trinitrospiro[3a,4,6,6a-Tetrahydrofuro[4,3-d][1,3]Dioxole-2,6'-Cyclohexa-1,3-Diene]-4-Yl]Methanolate
• Synonyms: Sodium [(3Ar,4R,6R,6Ar)-6-(6-Aminopurin-9-Yl)-1',3',5'-Trinitro-Spiro[3A,4,6,6A-Tetrahydrofuro[4,3-D][1,3]Dioxole-2,6'-Cyclohexa-1,3-Diene]-4-Yl]Methanolate; Sodium [(3Ar,4R,6R,6Ar)-6-(6-Aminopurin-9-Yl)-1',3',5'-Trinitro-4-Spiro[3A,4,6,6A-Tetrahydrofuro[4,3-D][1,3]Dioxole-2,6'-Cyclohexa-1,3-Diene]Yl]Methanolate; Sodium [(3Ar,4R,6R,6Ar)-6-Adenin-9-Yl-1',3',5'-Trinitro-Spiro[3A,4,6,6A-Tetrahydrofuro[4,3-D][1,3]Dioxole-2,6'-Cyclohexa-1,3-Diene]-4-Yl]Methanolate
• Molecular Formula: C₁₆H₁₃N₈NaO₁₀
• Molecular Weight: 500.32
• CAS Registry Number: 74792-78-2
• SMILES: [C@@H]12OC5(O[C@@H]1[C@H](O[C@H]2[N]3C4=C(N=C3)C(=NC=N4)N)C[O-])C(=CC(=CC5[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.[Na+]
• InChI: 1S/C16H13N8O10.Na/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(3-25)32-15)33-16(34-12)8(23(28)29)1-6(22(26)27)2-9(16)24(30)31;/h1-2,4-5,7-8,11-12,15H,3H2,(H2,17,18,19);/q-1;+1/t7-,8?,11-,12-,15-,16?;/m1./s1
• InChIKey: IKCKTZDNJROBPG-RUQMBEDUSA-N