3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)pyridine-4-carbaldehyde, compound with 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline
[CAS# 56896-69-6]

Identification

• Name: 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)pyridine-4-carbaldehyde, compound with 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline
• Synonyms: 1-[(3,4-Dimethoxyphenyl)Methyl]-6,7-Dimethoxy-Isoquinoline; (4-Formyl-5-Hydroxy-6-Methyl-3-Pyridyl)Methyl Dihydrogen Phosphate; 1-[(3,4-Dimethoxyphenyl)Methyl]-6,7-Dimethoxyisoquinoline; (4-Formyl-5-Hydroxy-6-Methyl-3-Pyridyl)Methyl Dihydrogen Phosphate; 6,7-Dimethoxy-1-Veratryl-Isoquinoline; (4-Formyl-5-Hydroxy-6-Methyl-3-Pyridyl)Methyl Dihydrogen Phosphate
• Molecular Formula: C₂₈H₃₁N₂O₁₀P
• Molecular Weight: 586.53
• CAS Registry Number: 56896-69-6
• SMILES: C1=NC(=C(O)C(=C1CO[P](=O)(O)O)C=O)C.C2=C3C(=CC(=C2OC)OC)C=CN=C3CC4=CC(=C(OC)C=C4)OC
• InChI: 1S/C20H21NO4.C8H10NO6P/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h5-8,10-12H,9H2,1-4H3;2-3,11H,4H2,1H3,(H2,12,13,14)
• InChIKey: VTJFMXLVZKZSGE-UHFFFAOYSA-N

Properties

• Boiling point: 483.2°C at 760 mmHg (Cal.)
• Flash point: 172.2°C (Cal.)