Phosphoadenosine Diphosphoribose
[CAS# 13552-81-3]

Identification

• Name: Phosphoadenosine Diphosphoribose
• Synonyms: [(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-3-Yl] [(2R,3S,4R)-3,4,5-Trihydroxytetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2R,3R,4R,5R)-2-(6-Amino-9-Purinyl)-4-Hydroxy-5-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]-3-Tetrahydrofuranyl] [(2R,3S,4R)-3,4,5-Trihydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3R,4R,5R)-2-(6-Aminopurin-9-Yl)-4-Hydroxy-5-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Oxolan-3-Yl] [(2R,3S,4R)-3,4,5-Trihydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₁₅H₂₄N₅O₁₇P₃
• Molecular Weight: 639.30
• CAS Registry Number: 13552-81-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O[P](OC[C@H]2OC(O)[C@H](O)[C@@H]2O)(=O)O)CO[P](O[P](=O)(O)O)(=O)O)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(9(22)6(34-14)2-33-40(30,31)37-38(25,26)27)36-39(28,29)32-1-5-8(21)10(23)15(24)35-5/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15?/m1/s1
• InChIKey: FZPAWXODDIKLFB-TYASJMOZSA-N

Properties

• Density: 2.543g/cm³ (Cal.)
• Boiling point: 1060.16°C at 760 mmHg (Cal.)
• Flash point: 594.963°C (Cal.)