[[(2R,3S,4R,5R)-5-[[(E)-3-Amino-2-Formyl-3-Oxoprop-1-Enyl]Amino]-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
[CAS# 73435-45-7]

Identification

• Name: [[(2R,3S,4R,5R)-5-[[(E)-3-Amino-2-Formyl-3-Oxoprop-1-Enyl]Amino]-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
• Synonyms: [[(2R,3S,4R,5R)-5-[[(E)-3-Amino-2-Formyl-3-Oxo-Prop-1-Enyl]Amino]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [[(2R,3S,4R,5R)-5-[[(E)-3-Amino-2-Formyl-3-Oxoprop-1-Enyl]Amino]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [[(2R,3S,4R,5R)-5-[[(E)-3-Amino-2-Formyl-3-Keto-Prop-1-Enyl]Amino]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₁₉H₂₇N₇O₁₅P₂
• Molecular Weight: 655.41
• CAS Registry Number: 73435-45-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](OC[C@H]2O[C@@H](N\C=C(\C(=O)N)C=O)[C@H](O)[C@@H]2O)(=O)O)(=O)O)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C19H27N7O15P2/c20-15-10-17(24-5-23-15)26(6-25-10)19-14(31)12(29)9(40-19)4-38-43(35,36)41-42(33,34)37-3-8-11(28)13(30)18(39-8)22-1-7(2-27)16(21)32/h1-2,5-6,8-9,11-14,18-19,22,28-31H,3-4H2,(H2,21,32)(H,33,34)(H,35,36)(H2,20,23,24)/b7-1+/t8-,9-,11-,12-,13-,14-,18-,19-/m1/s1
• InChIKey: VQSCJRWETKFKGF-HEVJDCHWSA-N

Properties

• Density: 2.238g/cm³ (Cal.)
• Boiling point: 1200.674°C at 760 mmHg (Cal.)
• Flash point: 679.943°C (Cal.)