Cyclic-9-(3-Hydroxy-2-Phosphonylmethoxypropyl)Adenine
[CAS# 113892-17-4]

Identification

• Name: Cyclic-9-(3-Hydroxy-2-Phosphonylmethoxypropyl)Adenine
• Synonyms: 9-[[(5S)-2-Hydroxy-2-Oxo-1,4-Dioxa-2$L^{5}-Phosphacyclohex-5-Yl]Methyl]-6-Purinamine; [9-[[(5S)-2-Hydroxy-2-Keto-1,4-Dioxa-2$L^{5}-Phosphacyclohex-5-Yl]Methyl]Purin-6-Yl]Amine; Aids072369
• Molecular Formula: C₉H₁₂N₅O₄P
• Molecular Weight: 285.20
• CAS Registry Number: 113892-17-4
• SMILES: [C@H]1(OC[P](OC1)(=O)O)C[N]2C3=C(N=C2)C(=NC=N3)N
• InChI: 1S/C9H12N5O4P/c10-8-7-9(12-3-11-8)14(4-13-7)1-6-2-18-19(15,16)5-17-6/h3-4,6H,1-2,5H2,(H,15,16)(H2,10,11,12)/t6-/m0/s1
• InChIKey: LNUMZUZGQXHRIL-LURJTMIESA-N

Properties

• Density: 2.012g/cm³ (Cal.)
• Boiling point: 605.964°C at 760 mmHg (Cal.)
• Flash point: 320.276°C (Cal.)