Triphosphoric Acid, Mono[[(2S,3R,4R)-4-(2-Amino-3,6-Dihydro-6-Oxo-9H-Purin-9-Yl)-3-(Hydroxymethyl)-2-Oxetanyl]Methyl] Ester
[CAS# 133386-21-7]

Identification

• Name: Triphosphoric Acid, Mono[[(2S,3R,4R)-4-(2-Amino-3,6-Dihydro-6-Oxo-9H-Purin-9-Yl)-3-(Hydroxymethyl)-2-Oxetanyl]Methyl] Ester
• Synonyms: Oxetanocin G triphosphate; Oxt-GTP
• Molecular Formula: C₁₀H₁₆N₅O₁₃P₃
• Molecular Weight: 507.18
• CAS Registry Number: 133386-21-7
• SMILES: O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n2cnc1C(=O)\N=C(\N)Nc12)[C@@H]3CO
• InChI: 1S/C10H16N5O13P3/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-4(1-16)5(26-9)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-5,9,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5-,9-/m1/s1
• InChIKey: ZTQGKUZQXQHVIV-UDJQAZALSA-N

Properties

• Density: 2.636g/cm³ (Cal.)
• Boiling point: 968.366°C at 760 mmHg (Cal.)
• Flash point: 539.448°C (Cal.)
• Refractive index: 1.904 (Cal.)