3'-O-(Naphthoyl-1)Adenosine Diphosphate
[CAS# 71160-02-6]

Identification

• Name: 3'-O-(Naphthoyl-1)Adenosine Diphosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-3-Yl] Naphthalene-1-Carboxylate; 1-Naphthalenecarboxylic Acid [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]-3-Tetrahydrofuranyl] Ester; Naphthalene-1-Carboxylic Acid [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₂₁H₂₁N₅O₁₁P₂
• Molecular Weight: 581.37
• CAS Registry Number: 71160-02-6
• SMILES: [C@@H]1(CO[P](O[P](=O)(O)O)(=O)O)[C@H]([C@@H](O)[C@@H](O1)[N]2C=NC3=C2N=CN=C3N)OC(C4=C5C(=CC=C4)C=CC=C5)=O
• InChI: 1S/C21H21N5O11P2/c22-18-15-19(24-9-23-18)26(10-25-15)20-16(27)17(14(35-20)8-34-39(32,33)37-38(29,30)31)36-21(28)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,9-10,14,16-17,20,27H,8H2,(H,32,33)(H2,22,23,24)(H2,29,30,31)/t14-,16-,17-,20-/m1/s1
• InChIKey: YCSLKNYVZVBVQF-WVSUBDOOSA-N

Properties

• Density: 1.958g/cm³ (Cal.)
• Boiling point: 946.89°C at 760 mmHg (Cal.)
• Flash point: 526.46°C (Cal.)