3'-O-(N-Methylanthraniloyl)Adenosine 5'-Diphosphate
[CAS# 85287-55-4]

Identification

• Name: 3'-O-(N-Methylanthraniloyl)Adenosine 5'-Diphosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-3-Yl] 2-Methylaminobenzoate; 2-Methylaminobenzoic Acid [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]-3-Tetrahydrofuranyl] Ester; 2-Methylaminobenzoic Acid [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₁₈H₂₂N₆O₁₁P₂
• Molecular Weight: 560.35
• CAS Registry Number: 85287-55-4
• SMILES: [C@H]2(O[C@@H]([C@@H](OC(=O)C1=CC=CC=C1NC)[C@H]2O)CO[P](O[P](=O)(O)O)(=O)O)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C18H22N6O11P2/c1-20-10-5-3-2-4-9(10)18(26)34-14-11(6-32-37(30,31)35-36(27,28)29)33-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1
• InChIKey: ANMCUTJZONROBG-LSCFUAHRSA-N

Properties

• Density: 1.993g/cm³ (Cal.)
• Boiling point: 916.367°C at 760 mmHg (Cal.)
• Flash point: 508°C (Cal.)