S-(2-Hydroxy-5-Nitrobenzyl)-6-Thioguanosine
[CAS# 41094-07-9]

Identification

• Name: S-(2-Hydroxy-5-Nitrobenzyl)-6-Thioguanosine
• Synonyms: (2R,3R,4S,5R)-2-[2-Amino-6-[(2-Hydroxy-5-Nitro-Phenyl)Methylsulfanyl]Purin-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[2-Amino-6-[(2-Hydroxy-5-Nitrophenyl)Methylthio]-9-Purinyl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol; (2R,3R,4S,5R)-2-[2-Amino-6-[(2-Hydroxy-5-Nitro-Benzyl)Thio]Purin-9-Yl]-5-Methylol-Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₇H₁₈N₆O₇S
• Molecular Weight: 450.43
• CAS Registry Number: 41094-07-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]2C3=C(N=C2)C(=NC(=N3)N)SCC4=CC(=CC=C4O)[N+]([O-])=O
• InChI: 1S/C17H18N6O7S/c18-17-20-14-11(19-6-22(14)16-13(27)12(26)10(4-24)30-16)15(21-17)31-5-7-3-8(23(28)29)1-2-9(7)25/h1-3,6,10,12-13,16,24-27H,4-5H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1
• InChIKey: JXIKYSYYTDTHBG-XNIJJKJLSA-N

Properties

• Density: 1.966g/cm³ (Cal.)
• Boiling point: 919.768°C at 760 mmHg (Cal.)
• Flash point: 510.057°C (Cal.)