3'-(Methylanthraniloyl)-2'-Deoxy-Guanosine Diphosphate
[CAS# 127383-33-9]

Identification

• Name: 3'-(Methylanthraniloyl)-2'-Deoxy-Guanosine Diphosphate
• Synonyms: [(2R,3S,5S)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3-Hydroxy-3-(2-Methylaminobenzoyl)Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,5S)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3-Hydroxy-3-[(2-Methylaminophenyl)-Oxomethyl]-2-Tetrahydrofuranyl]Methyl Phosphono Hydrogen Phosphate; [(2R,3S,5S)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3-Hydroxy-3-(2-Methylaminobenzoyl)Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate
• Molecular Formula: C₁₈H₂₂N₆O₁₁P₂
• Molecular Weight: 560.35
• CAS Registry Number: 127383-33-9
• SMILES: [C@]3(O)([C@H](O[C@H]([N]1C2=C(N=C1)C(=O)N=C(N2)N)C3)CO[P](O[P](O)(O)=O)(O)=O)C(=O)C4=CC=CC=C4NC
• InChI: 1S/C18H22N6O11P2/c1-20-10-5-3-2-4-9(10)14(25)18(27)6-12(24-8-21-13-15(24)22-17(19)23-16(13)26)34-11(18)7-33-37(31,32)35-36(28,29)30/h2-5,8,11-12,20,27H,6-7H2,1H3,(H,31,32)(H2,28,29,30)(H3,19,22,23,26)/t11-,12+,18+/m1/s1
• InChIKey: VYFYYESMHPKEAD-SOZUMNATSA-N

Properties

• Density: 2.021g/cm³ (Cal.)
• Boiling point: 994.287°C at 760 mmHg (Cal.)
• Flash point: 555.125°C (Cal.)