5-(Methoxycarbonyl)Tubercidin
[CAS# 18440-68-1]

Identification

• Name: 5-(Methoxycarbonyl)Tubercidin
• Synonyms: Methyl 4-Amino-7-[3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Pyrrolo[5,4-D]Pyrimidine-5-Carboxylate; 4-Amino-7-[3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-5-Pyrrolo[5,4-D]Pyrimidinecarboxylic Acid Methyl Ester; 4-Amino-7-(3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl)Pyrrolo[5,4-D]Pyrimidine-5-Carboxylic Acid Methyl Ester
• Molecular Formula: C₁₃H₁₆N₄O₆
• Molecular Weight: 324.29
• CAS Registry Number: 18440-68-1
• SMILES: C1=C(C3=C([N]1C2OC(C(O)C2O)CO)N=CN=C3N)C(OC)=O
• InChI: 1S/C13H16N4O6/c1-22-13(21)5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)23-12/h2,4,6,8-9,12,18-20H,3H2,1H3,(H2,14,15,16)
• InChIKey: CEZTWGUUIVXSPB-UHFFFAOYSA-N

Properties

• Density: 1.857g/cm³ (Cal.)
• Boiling point: 680.721°C at 760 mmHg (Cal.)
• Flash point: 365.487°C (Cal.)