1,4:3,6-Dianhydro-2-deoxy-2-(6-(1-pyrrolidinyl)-9H-purin-9-yl)-L-iditol 5-nitrate
[CAS# 81621-23-0]

Identification

• Name: 1,4:3,6-Dianhydro-2-deoxy-2-(6-(1-pyrrolidinyl)-9H-purin-9-yl)-L-iditol 5-nitrate
• Synonyms: Nitric Acid [(3S,3Ar,6S,6As)-3-(6-1-Pyrrolidinyl-9-Purinyl)-2,3,3A,5,6,6A-Hexahydrofuro[4,5-B]Furan-6-Yl] Ester; Nitric Acid [(3S,3Ar,6S,6As)-3-(6-Pyrrolidin-1-Ylpurin-9-Yl)-2,3,3A,5,6,6A-Hexahydrofuro[4,5-B]Furan-6-Yl] Ester; 1,4:3,6-Dianhydro-2-Deoxy-2-(6-(1-Pyrrolidinyl)-9H-Purin-9-Yl)-L-Iditol 5-Nitrate
• Molecular Formula: C₁₅H₁₈N₆O₅
• Molecular Weight: 362.34
• CAS Registry Number: 81621-23-0
• SMILES: [C@H]12OC[C@H](O[N+]([O-])=O)[C@H]1OC[C@@H]2[N]3C4=C(N=C3)C(=NC=N4)N5CCCC5
• InChI: 1S/C15H18N6O5/c22-21(23)26-10-6-25-12-9(5-24-13(10)12)20-8-18-11-14(16-7-17-15(11)20)19-3-1-2-4-19/h7-10,12-13H,1-6H2/t9-,10-,12+,13+/m0/s1
• InChIKey: IIECNRDTSQEIEH-YRRQLQLVSA-N

Properties

• Density: 1.887g/cm³ (Cal.)
• Boiling point: 604.568°C at 760 mmHg (Cal.)
• Flash point: 319.431°C (Cal.)