Sodium (4aR,6R,7R,7aS)-6-(6-Amino-8-Chloro-9H-Purin-9-Yl)-7-Hydroxytetrahydro-4H-Furo[3,2-d][1,3,2]Dioxaphosphinin-2-Olate 2-Sulfide
[CAS# 142754-27-6]

Identification

• Name: Sodium (4aR,6R,7R,7aS)-6-(6-Amino-8-Chloro-9H-Purin-9-Yl)-7-Hydroxytetrahydro-4H-Furo[3,2-d][1,3,2]Dioxaphosphinin-2-Olate 2-Sulfide
• Synonyms: (4aR,6R,7R,7aS) 2-Sulfure de 6-(6-amino-8-chloro-9H-purin-9-yl)-7-hydroxytétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate et de sodium; 4H-Furo[3,2-d]-1,3,2-dioxaphosphorin-7-ol, 6-(6-amino-8-chloro-9H-purin-9-yl)tetrahydro-2-mercapto-, 2-oxide, sodium salt, (4aR,6R,7R,7aS)- (1:1); 8-CHLOROADENOSINE-3',5'-CYCLICMONOPHOSPHOROTHIOATE,RP-ISOMERSODIUMSALT
• Molecular Formula: C₁₀H₁₀ClN₅NaO₅PS
• Molecular Weight: 401.70
• CAS Registry Number: 142754-27-6
• SMILES: c1nc(c2c(n1)n(c(n2)Cl)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=S)(O4)[O-])O)N.[Na+]
• InChI: 1S/C10H11ClN5O5PS.Na/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(20-9)1-19-22(18,23)21-6;/h2-3,5-6,9,17H,1H2,(H,18,23)(H2,12,13,14);/q;+1/p-1/t3-,5-,6-,9-,22?;/m1./s1
• InChIKey: ZEIVWYWIXCJSBP-QKAIHBBZSA-M

Properties

• Refractive index: (Cal.)