2'(3')-o-(N-Methyl)Anthraniloylguanosine 5'-Triphosphate
[CAS# 85287-57-6]

Identification

• Name: 2'(3')-o-(N-Methyl)Anthraniloylguanosine 5'-Triphosphate
• Synonyms: [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] 2-Methylaminobenzoate; 2-Methylaminobenzoic Acid [(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]-3-Tetrahydrofuranyl] Ester; 2-Methylaminobenzoic Acid [(2R,3S,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₁₈H₂₃N₆O₁₅P₃
• Molecular Weight: 656.33
• CAS Registry Number: 85287-57-6
• SMILES: [P](OC[C@H]3O[C@@H]([N]1C2=C(N=C1)C(=O)N=C(N2)N)[C@H](O)[C@@H]3OC(=O)C4=CC=CC=C4NC)(O[P](O[P](O)(O)=O)(O)=O)(O)=O
• InChI: 1S/C18H23N6O15P3/c1-20-9-5-3-2-4-8(9)17(27)37-13-10(6-35-41(31,32)39-42(33,34)38-40(28,29)30)36-16(12(13)25)24-7-21-11-14(24)22-18(19)23-15(11)26/h2-5,7,10,12-13,16,20,25H,6H2,1H3,(H,31,32)(H,33,34)(H2,28,29,30)(H3,19,22,23,26)/t10-,12-,13-,16-/m1/s1
• InChIKey: DSPRYHPLXXUNHS-XNIJJKJLSA-N

Properties

• Density: 2.191g/cm³ (Cal.)
• Boiling point: 1046.182°C at 760 mmHg (Cal.)
• Flash point: 586.51°C (Cal.)