2-Amino-9-(5-O-Phosphono-beta-D-Ribofuranosyl)-9H-Purine-6-Thiol
[CAS# 15867-02-4]

Identification

• Name: 2-Amino-9-(5-O-Phosphono-beta-D-Ribofuranosyl)-9H-Purine-6-Thiol
• Synonyms: 5'-Guanylic acid, 6-thio-; 6-TG Nucleotide; 6-Thioguanine nucleotide
• Molecular Formula: C₁₀H₁₄N₅O₇PS
• Molecular Weight: 379.29
• CAS Registry Number: 15867-02-4
• SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(N=C2S)N
• InChI: 1S/C10H14N5O7PS/c11-10-13-7-4(8(24)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(18,19)20/h2-3,5-6,9,16-17H,1H2,(H2,18,19,20)(H3,11,13,14,24)/t3-,5-,6-,9-/m1/s1
• InChIKey: BPZXYEUJBFHASJ-UUOKFMHZSA-N

Properties

• Density: 2.4±0.1g/cm³ (Cal.)
• Boiling point: 873.3±75.0°C at 760 mmHg (Cal.)
• Flash point: 481.9±37.1°C (Cal.)
• Refractive index: 1.964 (Cal.)