2-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-5-[[(3,4-Dihydroxy-6-Oxabicyclo[3.1.0]Hexan-2-Yl)Amino]Methyl]-1H-Pyrrolo[3,2-e]Pyrimidin-4-One
[CAS# 107865-20-3]

Identification

• Name: 2-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-5-[[(3,4-Dihydroxy-6-Oxabicyclo[3.1.0]Hexan-2-Yl)Amino]Methyl]-1H-Pyrrolo[3,2-e]Pyrimidin-4-One
• Synonyms: 2-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-5-[[(3,4-Dihydroxy-6-Oxabicyclo[3.1.0]Hexan-2-Yl)Amino]Methyl]-1H-Pyrrolo[3,2-E]Pyrimidin-4-One; 2-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-5-[[(3,4-Dihydroxy-6-Oxabicyclo[3.1.0]Hexan-2-Yl)Amino]Methyl]-1H-Pyrrolo[3,2-E]Pyrimidin-4-One; 2-Amino-7-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-5-[[(3,4-Dihydroxy-6-Oxabicyclo[3.1.0]Hexan-2-Yl)Amino]Methyl]-1H-Pyrrolo[3,2-E]Pyrimidin-4-One
• Molecular Formula: C₁₇H₂₃N₅O₈
• Molecular Weight: 425.40
• CAS Registry Number: 107865-20-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]2C5=C(C(=C2)CNC4C3OC3C(O)C4O)C(=O)N=C(N5)N
• InChI: 1S/C17H23N5O8/c18-17-20-14-6(15(28)21-17)4(1-19-7-9(25)10(26)13-12(7)30-13)2-22(14)16-11(27)8(24)5(3-23)29-16/h2,5,7-13,16,19,23-27H,1,3H2,(H3,18,20,21,28)/t5-,7?,8-,9?,10?,11-,12?,13?,16-/m1/s1
• InChIKey: RRCFLRBBBFZLSB-MPMHWICOSA-N

Properties

• Density: 2.339g/cm³ (Cal.)
• Boiling point: 864.028°C at 760 mmHg (Cal.)
• Flash point: 476.347°C (Cal.)