5'-Phosphoryl-(3'-amino-3'-deoxyguanylyl)-(3'-5')-3'-amino-3'-deoxycytidine
[CAS# 109679-54-1]

Identification

• Name: 5'-Phosphoryl-(3'-amino-3'-deoxyguanylyl)-(3'-5')-3'-amino-3'-deoxycytidine
• Synonyms: [(2R,3S,4R,5R)-4-Amino-2-[[(2R,3S,4R,5R)-4-Amino-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxymethyl]-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate; [(2R,3S,4R,5R)-4-Amino-2-[[(2R,3S,4R,5R)-4-Amino-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3-Phosphonooxy-2-Tetrahydrofuranyl]Methoxymethyl]-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3-Tetrahydrofuranyl] Dihydrogen Phosphate; [(2R,3S,4R,5R)-4-Amino-2-[[(2R,3S,4R,5R)-4-Amino-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxymethyl]-5-(2-Amino-6-Keto-3H-Purin-9-Yl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate
• Molecular Formula: C₁₉H₂₈N₁₀O₁₃P₂
• Molecular Weight: 666.44
• CAS Registry Number: 109679-54-1
• SMILES: [C@H]1(O[P](O)(O)=O)[C@@H](N)[C@@H](O[C@@H]1COC[C@H]3O[C@@H](N2C=CC(=NC2=O)N)[C@H](N)[C@@H]3O[P](O)(O)=O)[N]4C5=C(N=C4)C(=O)N=C(N5)N
• InChI: 1S/C19H28N10O13P2/c20-8-1-2-28(19(31)25-8)16-9(21)12(41-43(32,33)34)6(39-16)3-38-4-7-13(42-44(35,36)37)10(22)17(40-7)29-5-24-11-14(29)26-18(23)27-15(11)30/h1-2,5-7,9-10,12-13,16-17H,3-4,21-22H2,(H2,20,25,31)(H2,32,33,34)(H2,35,36,37)(H3,23,26,27,30)/t6-,7-,9-,10-,12-,13-,16-,17-/m1/s1
• InChIKey: ICCNTHLFMSAJHY-KZLWWIKISA-N

Properties

• Density: 2.432g/cm³ (Cal.)
• Boiling point: 1113.619°C at 760 mmHg (Cal.)
• Flash point: 627.294°C (Cal.)