[(2R,3R,4R,5R)-4-Acetyloxy-5-(Acetyloxymethyl)-2-(5-Amino-2,7-Dioxo-4H-[1,3]Thiazolo[5,4-e]Pyrimidin-3-Yl)Oxolan-3-Yl] Acetate
[CAS# 124737-24-2]

Identification

• Name: [(2R,3R,4R,5R)-4-Acetyloxy-5-(Acetyloxymethyl)-2-(5-Amino-2,7-Dioxo-4H-[1,3]Thiazolo[5,4-e]Pyrimidin-3-Yl)Oxolan-3-Yl] Acetate
• Synonyms: [(2R,3R,4R,5R)-4-Acetoxy-5-(Acetoxymethyl)-2-(5-Amino-2,7-Dioxo-4H-Thiazolo[5,4-E]Pyrimidin-3-Yl)Tetrahydrofuran-3-Yl] Acetate; Acetic Acid [(2R,3R,4R,5R)-4-Acetoxy-5-(Acetoxymethyl)-2-(5-Amino-2,7-Dioxo-4H-Thiazolo[5,4-E]Pyrimidin-3-Yl)-3-Tetrahydrofuranyl] Ester; Acetic Acid [(2R,3R,4R,5R)-4-Acetoxy-5-(Acetoxymethyl)-2-(5-Amino-2,7-Diketo-4H-Thiazolo[5,4-E]Pyrimidin-3-Yl)Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₁₆H₁₈N₄O₉S
• Molecular Weight: 442.40
• CAS Registry Number: 124737-24-2
• SMILES: [C@H]3(N2C1=C(C(N=C(N1)N)=O)SC2=O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H](O3)COC(=O)C
• InChI: 1S/C16H18N4O9S/c1-5(21)26-4-8-9(27-6(2)22)10(28-7(3)23)14(29-8)20-12-11(30-16(20)25)13(24)19-15(17)18-12/h8-10,14H,4H2,1-3H3,(H3,17,18,19,24)/t8-,9-,10-,14-/m1/s1
• InChIKey: JCBNBPGERWWBNS-NZHONMPCSA-N

Properties

• Density: 1.8g/cm³ (Cal.)
• Boiling point: 580.692°C at 760 mmHg (Cal.)
• Flash point: 304.992°C (Cal.)