(1S,2xi)-1-(2-Amino-4-Oxo-4,7-Dihydro-1H-Pyrrolo[3,2-d]Pyrimidin-7-Yl)-1,4-Anhydro-D-Threo-Pentitol
[CAS# 102731-45-3]

Identification

• Name: (1S,2xi)-1-(2-Amino-4-Oxo-4,7-Dihydro-1H-Pyrrolo[3,2-d]Pyrimidin-7-Yl)-1,4-Anhydro-D-Threo-Pentitol
• Synonyms: 9-Deazaguanosine
• Molecular Formula: C₁₁H₁₄N₄O₅
• Molecular Weight: 282.25
• CAS Registry Number: 102731-45-3
• SMILES: C1=Nc2c(nc([nH]c2=O)N)C1[C@H]3C([C@H]([C@H](O3)CO)O)O
• InChI: 1S/C11H14N4O5/c12-11-14-5-3(1-13-6(5)10(19)15-11)9-8(18)7(17)4(2-16)20-9/h1,3-4,7-9,16-18H,2H2,(H3,12,14,15,19)/t3?,4-,7+,8?,9+/m1/s1
• InChIKey: WYAUCALSJXKRMX-MTBUGKBISA-N

Properties

• Density: 2.159g/cm³ (Cal.)
• Refractive index: 1.914 (Cal.)