Adenylyl-(3'-5')-Virazole
[CAS# 80948-57-8]

Identification

• Name: Adenylyl-(3'-5')-Virazole
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(3-Carbamoyl-1,2,4-Triazol-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [(2R,3S,4R,5R)-5-(3-Carbamoyl-1,2,4-Triazol-1-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(3-Aminocarbonyl-1,2,4-Triazol-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₁₈H₂₄N₉O₁₁P
• Molecular Weight: 573.42
• CAS Registry Number: 80948-57-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](OC[C@H]3O[C@@H]([N]2N=C(N=C2)C(=O)N)[C@H](O)[C@@H]3O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C18H24N9O11P/c19-13-8-16(22-3-21-13)26(4-23-8)17-11(30)9(28)6(37-17)1-35-39(33,34)36-2-7-10(29)12(31)18(38-7)27-5-24-15(25-27)14(20)32/h3-7,9-12,17-18,28-31H,1-2H2,(H2,20,32)(H,33,34)(H2,19,21,22)/t6-,7-,9-,10-,11-,12-,17-,18-/m1/s1
• InChIKey: SUOVLCOMNHUFTD-LCRFBQFRSA-N

Properties

• Density: 2.338g/cm³ (Cal.)
• Boiling point: 1044.964°C at 760 mmHg (Cal.)
• Flash point: 585.773°C (Cal.)