8-[(E)-Benzylideneamino]-2'-Deoxyadenosine 3'-(Dihydrogen Phosphate)
[CAS# 31319-90-1]

Identification

• Name: 8-[(E)-Benzylideneamino]-2'-Deoxyadenosine 3'-(Dihydrogen Phosphate)
• Synonyms: 8-(Phenylmethyl)amino-cyclic adenosine monophosphate; 8-(Phenylmethyl)amino-cyclic amp
• Molecular Formula: C₁₇H₁₉N₆O₆P
• Molecular Weight: 434.34
• CAS Registry Number: 31319-90-1
• SMILES: O=P(O)(O)O[C@@H]4[C@H](O[C@@H](n2c(nc1c(ncnc12)N)\N=C\c3ccccc3)C4)CO
• InChI: 1S/C17H19N6O6P/c18-15-14-16(21-9-20-15)23(17(22-14)19-7-10-4-2-1-3-5-10)13-6-11(12(8-24)28-13)29-30(25,26)27/h1-5,7,9,11-13,24H,6,8H2,(H2,18,20,21)(H2,25,26,27)/b19-7+/t11-,12+,13+/m0/s1
• InChIKey: HDTLQFZHJBMVPP-HPNSUZEISA-N

Properties

• Density: 1.802g/cm³ (Cal.)
• Boiling point: 800.849°C at 760 mmHg (Cal.)
• Flash point: 438.138°C (Cal.)