(1R,12R,13S,14R)-7-Amino-15-Oxa-2,4,6,9-Tetraazatetracyclo[10.2.1.0^2,10.0^3,8]Pentadeca-3,5,7,9-Tetraene-13,14-Diol
[CAS# 3415-89-2]

Identification

• Name: (1R,12R,13S,14R)-7-Amino-15-Oxa-2,4,6,9-Tetraazatetracyclo[10.2.1.0^2,10.0^3,8]Pentadeca-3,5,7,9-Tetraene-13,14-Diol
• Synonyms: 5-DEOXY-8,5-CYCLOADENOSINE
• Molecular Formula: C₁₀H₁₁N₅O₃
• Molecular Weight: 249.23
• CAS Registry Number: 3415-89-2
• SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C1=NC4=C(N=CN=C43)N)O)O
• InChI: 1S/C10H11N5O3/c11-8-5-9(13-2-12-8)15-4(14-5)1-3-6(16)7(17)10(15)18-3/h2-3,6-7,10,16-17H,1H2,(H2,11,12,13)/t3-,6-,7-,10-/m1/s1
• InChIKey: HQTVJWSZGWEZPW-KAFVXXCXSA-N

Properties

• Density: 2.4±0.1g/cm³ (Cal.)
• Boiling point: 672.3±55.0°C at 760 mmHg (Cal.)
• Flash point: 360.4±31.5°C (Cal.)