9-(1,3-Dihydroxy-2-Propoxymethyl)-Guanine-Bis(Monophosphate)
[CAS# 91516-84-6]

Identification

• Name: 9-(1,3-Dihydroxy-2-Propoxymethyl)-Guanine-Bis(Monophosphate)
• Synonyms: [2-[(2-Amino-6-Oxo-3H-Purin-9-Yl)Methoxy]-3-Phosphonooxy-Propyl] Dihydrogen Phosphate; [2-[(2-Amino-6-Keto-3H-Purin-9-Yl)Methoxy]-3-Phosphonooxy-Propyl] Dihydrogen Phosphate; 6H-Purin-6-One, 2-Amino-1,9-Dihydro-9-[[2-(Phosphonooxy)-1-[(Phosphonooxy)Methyl]E
• Molecular Formula: C₉H₁₅N₅O₁₀P₂
• Molecular Weight: 415.19
• CAS Registry Number: 91516-84-6
• SMILES: C1=NC2=C([N]1COC(CO[P](O)(O)=O)CO[P](O)(O)=O)NC(=NC2=O)N
• InChI: 1S/C9H15N5O10P2/c10-9-12-7-6(8(15)13-9)11-3-14(7)4-22-5(1-23-25(16,17)18)2-24-26(19,20)21/h3,5H,1-2,4H2,(H2,16,17,18)(H2,19,20,21)(H3,10,12,13,15)
• InChIKey: XKEDVXJHPVQCFB-UHFFFAOYSA-N

Properties

• Density: 2.262g/cm³ (Cal.)
• Boiling point: 906.216°C at 760 mmHg (Cal.)
• Flash point: 501.861°C (Cal.)