3'-Deoxy-3'-Aminocytidylyl(3'-5')Adenosine
[CAS# 70834-14-9]

Identification

• Name: 3'-Deoxy-3'-Aminocytidylyl(3'-5')Adenosine
• Synonyms: [(2S,3S,4R,5R)-3-Amino-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2S,3S,4R,5R)-3-Amino-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-4-Hydroxy-2-Tetrahydrofuranyl]Methyl [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2S,3S,4R,5R)-3-Amino-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₁₉H₂₆N₉O₁₀P
• Molecular Weight: 571.44
• CAS Registry Number: 70834-14-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](OC[C@H]3O[C@@H](N2C(=O)N=C(N)C=C2)[C@H](O)[C@@H]3N)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C19H26N9O10P/c20-9-1-2-27(19(32)26-9)17-13(30)10(21)7(37-17)3-35-39(33,34)36-4-8-12(29)14(31)18(38-8)28-6-25-11-15(22)23-5-24-16(11)28/h1-2,5-8,10,12-14,17-18,29-31H,3-4,21H2,(H,33,34)(H2,20,26,32)(H2,22,23,24)/t7-,8-,10-,12-,13-,14-,17-,18-/m1/s1
• InChIKey: RFDGFVQDQPIHOX-YRHMQFFASA-N

Properties

• Density: 2.231g/cm³ (Cal.)
• Boiling point: 970.615°C at 760 mmHg (Cal.)
• Flash point: 540.809°C (Cal.)