[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Phosphonooxyphosphoryl] 5-Dimethylaminonaphthalene-1-Carboxylate
[CAS# 75352-13-5]

Identification

• Name: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Phosphonooxyphosphoryl] 5-Dimethylaminonaphthalene-1-Carboxylate
• Synonyms: [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Phosphonooxy-Phosphoryl] 5-Dimethylaminonaphthalene-1-Carboxylate; 5-Dimethylamino-1-Naphthalenecarboxylic Acid [[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Phosphonooxyphosphoryl] Ester; 5-Dimethylaminonaphthalene-1-Carboxylic Acid [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Phosphonooxy-Phosphoryl] Ester
• Molecular Formula: C₂₃H₂₆N₆O₁₁P₂
• Molecular Weight: 624.44
• CAS Registry Number: 75352-13-5
• SMILES: [C@@H]3(CO[P](OC(C1=C2C(=CC=C1)C(=CC=C2)N(C)C)=O)(O[P](=O)(O)O)=O)[C@@H](O)[C@@H](O)[C@@H](O3)[N]4C=NC5=C4N=CN=C5N
• InChI: 1S/C23H26N6O11P2/c1-28(2)15-8-4-5-12-13(15)6-3-7-14(12)23(32)39-42(36,40-41(33,34)35)37-9-16-18(30)19(31)22(38-16)29-11-27-17-20(24)25-10-26-21(17)29/h3-8,10-11,16,18-19,22,30-31H,9H2,1-2H3,(H2,24,25,26)(H2,33,34,35)/t16-,18-,19-,22-,42?/m1/s1
• InChIKey: IUEXOJQXTOQRMV-GLWPZLMFSA-N

Properties

• Density: 1.848g/cm³ (Cal.)
• Boiling point: 913.062°C at 760 mmHg (Cal.)
• Flash point: 506.002°C (Cal.)