2-Amino-9-[(2S,3aR,4R,6R,6aR)-2-Hydroxy-6-(Hydroxymethyl)-2-Sulfidotetrahydrofuro[3,4-d][1,3,2]Dioxaphosphol-4-Yl]-3,9-Dihydro-6H-Purin-6-One
[CAS# 38557-85-6]

Identification

• Name: 2-Amino-9-[(2S,3aR,4R,6R,6aR)-2-Hydroxy-6-(Hydroxymethyl)-2-Sulfidotetrahydrofuro[3,4-d][1,3,2]Dioxaphosphol-4-Yl]-3,9-Dihydro-6H-Purin-6-One
• Synonyms: (R)-RETRO-THIORPHAN; 2',3'-Cgps; Guanosine 2',3'-cyclophosphorothioate
• Molecular Formula: C₁₀H₁₂N₅O₆PS
• Molecular Weight: 361.27
• CAS Registry Number: 38557-85-6
• SMILES: S=P3(O[C@@H]4[C@H](O[C@@H](n1c2NC(=N/C(=O)c2nc1)\N)[C@@H]4O3)CO)O
• InChI: 1S/C10H12N5O6PS/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)19-9)20-22(18,23)21-6/h2-3,5-6,9,16H,1H2,(H,18,23)(H3,11,13,14,17)/t3-,5-,6-,9-,22+/m1/s1
• InChIKey: QZEROIIFJLCOOE-FHIGPPGSSA-N

Properties

• Density: 2.549g/cm³ (Cal.)
• Boiling point: 764.22°C at 760 mmHg (Cal.)
• Flash point: 415.986°C (Cal.)