2,3-Dihydroxypropyl Dihydrogen Phosphate, (R)-[(4R,5R,7S)-5-Ethenyl-1-Azabicyclo[2.2.2]Octan-7-Yl]-(6-Methoxyquinolin-4-Yl)Methanol
[CAS# 146-39-4]

Identification

• Name: 2,3-Dihydroxypropyl Dihydrogen Phosphate, (R)-[(4R,5R,7S)-5-Ethenyl-1-Azabicyclo[2.2.2]Octan-7-Yl]-(6-Methoxyquinolin-4-Yl)Methanol
• Synonyms: 2,3-Dihydroxypropyl Dihydrogen Phosphate; (R)-(6-Methoxy-4-Quinolyl)-[(2S,4R,5R)-5-Vinylquinuclidin-2-Yl]Methanol; 2,3-Dihydroxypropyl Dihydrogen Phosphate; (R)-(6-Methoxy-4-Quinolyl)-[(2S,4R,5R)-5-Vinyl-2-Quinuclidinyl]Methanol; Glyceryl Dihydrogen Phosphate; (R)-(6-Methoxy-4-Quinolyl)-[(2S,4R,5R)-5-Vinylquinuclidin-2-Yl]Methanol
• Molecular Formula: C₄₃H₅₇N₄O₁₀P
• Molecular Weight: 820.92
• CAS Registry Number: 146-39-4
• EINECS: 205-669-4
• SMILES: [C@@H]1(N2C[C@@H]([C@@H](C1)CC2)C=C)[C@H](O)C3=CC=NC4=CC=C(OC)C=C34.[C@@H]5(N6C[C@@H]([C@@H](C5)CC6)C=C)[C@H](O)C7=CC=NC8=CC=C(OC)C=C78.C(O[P](=O)(O)O)C(O)CO
• InChI: 1S/2C20H24N2O2.C3H9O6P/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;4-1-3(5)2-9-10(6,7)8/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-5H,1-2H2,(H2,6,7,8)/t2*13-,14+,19-,20+;/m00./s1
• InChIKey: YZDDKALBXAGVHK-MDSABZTASA-N

Properties

• Boiling point: 495.9°C at 760 mmHg (Cal.)
• Flash point: 253.7°C (Cal.)