4-[Bis(cyclohexylamino)methylene]morpholin-4-ium 5'-O-(4-morpholinylphosphinato)adenosine
[CAS# 24558-92-7]

Identification

• Name: 4-[Bis(cyclohexylamino)methylene]morpholin-4-ium 5'-O-(4-morpholinylphosphinato)adenosine
• Synonyms: ADENOSINE5'-MONOPHOSPHO-MORPHOLIDATE4-MORPHOLINE-N,N'-DICYCLOHEXYLCARBOXAMIDINESALT
• Molecular Formula: C₃₁H₅₂N₉O₈P
• Molecular Weight: 709.77
• CAS Registry Number: 24558-92-7
• SMILES: [O-]P(=O)(OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O)N4CCOCC4.O3CC/[N+](=C(/NC1CCCCC1)NC2CCCCC2)CC3
• InChI: 1S/C17H31N3O.C14H21N6O7P/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16;15-12-9-13(17-6-16-12)20(7-18-9)14-11(22)10(21)8(27-14)5-26-28(23,24)19-1-3-25-4-2-19/h15-16H,1-14H2,(H,18,19);6-8,10-11,14,21-22H,1-5H2,(H,23,24)(H2,15,16,17)/t;8-,10-,11-,14-/m.1/s1
• InChIKey: VYSFOCCDQZWOQI-HZGXGGOMSA-N

Properties

• Boiling point: 772.4°C at 760 mmHg (Cal.)
• Flash point: 421°C (Cal.)
• Refractive index: (Cal.)