5'-O-[{[{[(4-Aminophenoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-7-methyl-7,8-dihydroguanosine
[CAS# 88106-70-1]

Identification

• Name: 5'-O-[{[{[(4-Aminophenoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-7-methyl-7,8-dihydroguanosine
• Synonyms: 4-AP-m(7)GTP; 7-Methylguanosine 5'-triphosphate 4-aminophenyl γ-ester
• Molecular Formula: C₁₇H₂₅N₆O₁₄P₃
• Molecular Weight: 630.33
• CAS Registry Number: 88106-70-1
• SMILES: O=P(Oc1ccc(N)cc1)(O)OP(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](N2/C3=C(\N(C2)C)C(=O)/N=C(/N)N3)[C@H](O)[C@@H]4O
• InChI: 1S/C17H25N6O14P3/c1-22-7-23(14-11(22)15(26)21-17(19)20-14)16-13(25)12(24)10(34-16)6-33-38(27,28)36-40(31,32)37-39(29,30)35-9-4-2-8(18)3-5-9/h2-5,10,12-13,16,24-25H,6-7,18H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H3,19,20,21,26)/t10-,12-,13-,16-/m1/s1
• InChIKey: SLAPWEDGAUBNSE-XNIJJKJLSA-N

Properties

• Density: 2.215g/cm³ (Cal.)
• Boiling point: 921.35°C at 760 mmHg (Cal.)
• Flash point: 511.014°C (Cal.)