Bis(3',5')-Cyclic Diguanylic Acid
[CAS# 61093-23-0]

Identification

• Name: Bis(3',5')-Cyclic Diguanylic Acid
• Synonyms: Bis(3',5')-Cyclic Diguanylic Acid; Cyclic Diguanylic Acid; Cyclic-Bis(3',5')Diguanylic Acid
• Molecular Formula: C₂₀H₂₄N₁₀O₁₄P₂
• Molecular Weight: 690.42
• CAS Registry Number: 61093-23-0
• SMILES: [C@@H]47O[P](OCC3O[C@@H]([N]1C2=C(N=C1)C(=O)N=C(N2)N)[C@H](O)C3O[P](OC[C@H]4O[C@@H]([N]5C6=C(N=C5)C(=O)N=C(N6)N)[C@@H]7O)(=O)O)(=O)O
• InChI: 1S/C20H24N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32H,1-2H2,(H,35,36)(H,37,38)(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6?,9-,10-,11-,12?,17-,18-/m1/s1
• InChIKey: PKFDLKSEZWEFGL-WQKDRPCASA-N

Properties

• Density: 2.704g/cm³ (Cal.)
• Boiling point: 1224.796°C at 760 mmHg (Cal.)
• Flash point: 694.532°C (Cal.)