Sodium (2R,4aR,6R,7R,7aS)-6-(2-Bromo-9-Oxo-6-Phenyl-4,9-Dihydro-3H-Imidazo[1,2-a]Purin-3-Yl)-7-Hydroxytetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinine-2-Thiolate 2-Oxide
[CAS 185246-32-6]

Identification

• Name: Sodium (2R,4aR,6R,7R,7aS)-6-(2-Bromo-9-Oxo-6-Phenyl-4,9-Dihydro-3H-Imidazo[1,2-a]Purin-3-Yl)-7-Hydroxytetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinine-2-Thiolate 2-Oxide
• Synonyms: 2-Bromo-3,4-dihydro-3-[3,5-O-[(R)-mercaptophosphinylidene]-ß-D-ribofuranosyl]-6-phenyl-9H-Imidazo[1,2-a]purin-9-one sodium salt; Rp-8-Br-PET-cGMPS
• Molecular Formula: C₁₈H₁₄BrN₅NaO₆PS
• Molecular Weight: 562.27
• CAS Registry Number: 185246-32-6
• SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)N5C=C(N=C5N4)C6=CC=CC=C6)N=C3Br)O)O[P@@](=O)(O1)S[Na]
• InChI: 1S/C18H15BrN5O6PS.Na/c19-17-21-11-14(24(17)16-12(25)13-10(29-16)7-28-31(27,32)30-13)22-18-20-9(6-23(18)15(11)26)8-4-2-1-3-5-8;/h1-6,10,12-13,16,25H,7H2,(H,20,22)(H,27,32);/q;+1/p-1/t10-,12-,13-,16-,31-;/m1./s1
• InChIKey: SVMPQLHYWRTQCX-DBHVCDLJSA-M

Properties

• Refractive index: (Cal.)
• solubility: Soluble to 20 mM in water and to 40 mM in DMSO