(2R,4R,5R)-2-(Hydroxymethyl)-5-(5-Methylsulfanyl-2,4,9-Triazabicyclo[4.3.0]Nona-2,4,7,10-Tetraen-9-Yl)Oxolane-3,4-Diol
[CAS# 16754-86-2]

Identification

• Name: (2R,4R,5R)-2-(Hydroxymethyl)-5-(5-Methylsulfanyl-2,4,9-Triazabicyclo[4.3.0]Nona-2,4,7,10-Tetraen-9-Yl)Oxolane-3,4-Diol
• Synonyms: 2-(Hydroxymethyl)-5-(4-Methylsulfanylpyrrolo[3,2-E]Pyrimidin-7-Yl)Tetrahydrofuran-3,4-Diol; 2-(Hydroxymethyl)-5-[4-(Methylthio)-7-Pyrrolo[3,2-E]Pyrimidinyl]Tetrahydrofuran-3,4-Diol; 2-Methylol-5-[4-(Methylthio)Pyrrolo[3,2-E]Pyrimidin-7-Yl]Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₂H₁₅N₃O₄S
• Molecular Weight: 297.33
• CAS Registry Number: 16754-86-2
• SMILES: C2=NC(=C1C=C[N](C1=N2)C3C(O)C(O)C(CO)O3)SC
• InChI: 1S/C12H15N3O4S/c1-20-11-6-2-3-15(10(6)13-5-14-11)12-9(18)8(17)7(4-16)19-12/h2-3,5,7-9,12,16-18H,4H2,1H3
• InChIKey: ULAFTYMEZPGDOI-UHFFFAOYSA-N

Properties

• Density: 1.724g/cm³ (Cal.)
• Boiling point: 615.065°C at 760 mmHg (Cal.)
• Flash point: 325.78°C (Cal.)