[(2S,5R)-5-[6,8-Diamino-1-[(2R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2,5-Dihydrofuran-2-Yl]-2H-Purin-9-Yl]-4-Hydroxy-2,5-Dihydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
[CAS# 151898-25-8]

Identification

• Name: [(2S,5R)-5-[6,8-Diamino-1-[(2R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2,5-Dihydrofuran-2-Yl]-2H-Purin-9-Yl]-4-Hydroxy-2,5-Dihydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
• Synonyms: [(2S,5R)-5-[6,8-Diamino-1-[(2R,5R)-3,4-Dihydroxy-5-Methylol-2,5-Dihydrofuran-2-Yl]-2H-Purin-9-Yl]-4-Hydroxy-2,5-Dihydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate; 8-Amino-Cadpr; 8-Amino-Cyclic Adenosine Diphosphate-Ribose
• Molecular Formula: C₁₅H₂₂N₆O₁₃P₂
• Molecular Weight: 556.32
• CAS Registry Number: 151898-25-8
• SMILES: [C@@H]1(CO[P](O[P](=O)(O)O)(=O)O)C=C(O)[C@@H](O1)N2C(=NC3=C(N)N(CN=C23)[C@H]4C(=C(O)[C@H](O4)CO)O)N
• InChI: 1S/C15H22N6O13P2/c16-11-8-12(18-4-20(11)14-10(25)9(24)7(2-22)33-14)21(15(17)19-8)13-6(23)1-5(32-13)3-31-36(29,30)34-35(26,27)28/h1,5,7,13-14,22-25H,2-4,16H2,(H2,17,19)(H,29,30)(H2,26,27,28)/t5-,7+,13+,14+/m0/s1
• InChIKey: WZEWLTIOWBOCDF-XWPVMSEFSA-N

Properties

• Density: 2.456g/cm³ (Cal.)
• Boiling point: 888.913°C at 760 mmHg (Cal.)
• Flash point: 491.397°C (Cal.)