9-(3-Hydroxy-2-Phosphonomethoxypropyl)-2,6-Diaminopurine
[CAS# 113852-35-0]

Identification

• Name: 9-(3-Hydroxy-2-Phosphonomethoxypropyl)-2,6-Diaminopurine
• Synonyms: [(1S)-1-[(2,6-Diaminopurin-9-Yl)Methyl]-2-Hydroxy-Ethoxy]Methylphosphonic Acid; [(1S)-1-[(2,6-Diamino-9-Purinyl)Methyl]-2-Hydroxyethoxy]Methylphosphonic Acid; [(2S)-1-(2,6-Diaminopurin-9-Yl)-3-Hydroxy-Propan-2-Yl]Oxymethylphosphonic Acid
• Molecular Formula: C₉H₁₅N₆O₅P
• Molecular Weight: 318.23
• CAS Registry Number: 113852-35-0
• SMILES: [C@H](OC[P](=O)(O)O)(C[N]1C2=C(N=C1)C(=NC(=N2)N)N)CO
• InChI: 1S/C9H15N6O5P/c10-7-6-8(14-9(11)13-7)15(3-12-6)1-5(2-16)20-4-21(17,18)19/h3,5,16H,1-2,4H2,(H2,17,18,19)(H4,10,11,13,14)/t5-/m0/s1
• InChIKey: XGTJCNSZEASLLL-YFKPBYRVSA-N

Properties

• Density: 2.052g/cm³ (Cal.)
• Boiling point: 832.725°C at 760 mmHg (Cal.)
• Flash point: 457.416°C (Cal.)