O3-[2-[4-(2,3-Dihydroxypropoxy)Phenyl]Ethyl] O5-Methyl 2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylate
[CAS# 104060-12-0]

Identification

• Name: O3-[2-[4-(2,3-Dihydroxypropoxy)Phenyl]Ethyl] O5-Methyl 2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylate
• Synonyms: 2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylic Acid O3-[2-[4-(2,3-Dihydroxypropoxy)Phenyl]Ethyl] O5-Methyl Ester; 2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylic Acid O3-[2-(4-Glyceryloxyphenyl)Ethyl] O5-Methyl Ester; Rs 93522
• Molecular Formula: C₂₇H₃₀N₂O₉
• Molecular Weight: 526.54
• CAS Registry Number: 104060-12-0
• SMILES: C3=C(C1C(=C(NC(=C1C(OC)=O)C)C)C(OCCC2=CC=C(OCC(O)CO)C=C2)=O)C=CC=C3[N+]([O-])=O
• InChI: 1S/C27H30N2O9/c1-16-23(26(32)36-3)25(19-5-4-6-20(13-19)29(34)35)24(17(2)28-16)27(33)37-12-11-18-7-9-22(10-8-18)38-15-21(31)14-30/h4-10,13,21,25,28,30-31H,11-12,14-15H2,1-3H3
• InChIKey: QLNAYPDWIWUVHP-UHFFFAOYSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 724.737°C at 760 mmHg (Cal.)
• Flash point: 392.107°C (Cal.)