(2R,3R,4S,5R)-2-[6-[(2-Hydroxy-3-Iodo-5-Nitrophenyl)Methylsulfanyl]Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
[CAS# 109982-34-5]

Identification

• Name: (2R,3R,4S,5R)-2-[6-[(2-Hydroxy-3-Iodo-5-Nitrophenyl)Methylsulfanyl]Purin-9-Yl]-5-(Hydroxymethyl)Oxolane-3,4-Diol
• Synonyms: (2R,3R,4S,5R)-2-[6-[(2-Hydroxy-3-Iodo-5-Nitro-Phenyl)Methylsulfanyl]Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[6-[(2-Hydroxy-3-Iodo-5-Nitrophenyl)Methylthio]-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[6-[(2-Hydroxy-3-Iodo-5-Nitro-Benzyl)Thio]Purin-9-Yl]-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₇H₁₆IN₅O₇S
• Molecular Weight: 561.31
• CAS Registry Number: 109982-34-5
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]2C3=C(N=C2)C(=NC=N3)SCC4=C(O)C(=CC(=C4)[N+]([O-])=O)I
• InChI: 1S/C17H16IN5O7S/c18-9-2-8(23(28)29)1-7(12(9)25)4-31-16-11-15(19-5-20-16)22(6-21-11)17-14(27)13(26)10(3-24)30-17/h1-2,5-6,10,13-14,17,24-27H,3-4H2/t10-,13-,14-,17-/m1/s1
• InChIKey: DKVZUGNICGXNBN-IWCJZZDYSA-N

Properties

• Density: 2.245g/cm³ (Cal.)
• Boiling point: 809.05°C at 760 mmHg (Cal.)
• Flash point: 443.098°C (Cal.)