Sodium (4aR,6R,7R,7aS)-6-(6-Amino-8-Bromo-9H-Purin-9-Yl)-7-Hydroxytetrahydro-4H-Furo[3,2-d][1,3,2]Dioxaphosphinin-2-Olate 2-Oxide Hydrate (1:1:1)
[CAS# 123334-12-3]

Identification

• Name: Sodium (4aR,6R,7R,7aS)-6-(6-Amino-8-Bromo-9H-Purin-9-Yl)-7-Hydroxytetrahydro-4H-Furo[3,2-d][1,3,2]Dioxaphosphinin-2-Olate 2-Oxide Hydrate (1:1:1)
• Synonyms: 8-Bromoadenosine 3',5'-cyclic monophosphate sodium salt monohydrate; 8-Bromoadenosine 3′,5′-cyclic monophosphate sodium salt monohydrate; 858463_ALDRICH
• Molecular Formula: C₁₀H₁₂BrN₅NaO₇P
• Molecular Weight: 448.10
• CAS Registry Number: 123334-12-3
• SMILES: [Na+].Brc2nc1c(ncnc1n2[C@@H]3O[C@@H]4COP([O-])(=O)O[C@H]4[C@H]3O)N.O
• InChI: 1S/C10H11BrN5O6P.Na.H2O/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6;;/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14);;1H2/q;+1;/p-1/t3-,5-,6-,9-;;/m1../s1
• InChIKey: XWDDEXWQQLBWNV-LGVAUZIVSA-M

Properties

• Refractive index: (Cal.)