N-[4-(4,6-Dioxo-5-phenylhexahydro-5-pyrimidinyl)butyl]-7-(beta-D-galactopyranosyloxy)-2-oxo-2H-chromene-3-carboxamide
[CAS# 79181-75-2]

Identification

• Name: N-[4-(4,6-Dioxo-5-phenylhexahydro-5-pyrimidinyl)butyl]-7-(beta-D-galactopyranosyloxy)-2-oxo-2H-chromene-3-carboxamide
• Synonyms: 7-(β-D-galactopyranosyloxy)-N-[4-(hexahydro-4,6-dioxo-5-phenylpyrimidin-5-yl)butyl]-2-oxo-2H-1-benzopyran-3-carboxamide
• Molecular Formula: C₃₀H₃₃N₃O₁₁
• Molecular Weight: 611.60
• CAS Registry Number: 79181-75-2
• EINECS: 279-106-6
• SMILES: O=C5NCNC(=O)C5(CCCCNC(=O)C1=Cc2ccc(cc2OC1=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c4ccccc4
• InChI: 1S/C30H33N3O11/c34-14-21-22(35)23(36)24(37)27(44-21)42-18-9-8-16-12-19(26(39)43-20(16)13-18)25(38)31-11-5-4-10-30(17-6-2-1-3-7-17)28(40)32-15-33-29(30)41/h1-3,6-9,12-13,21-24,27,34-37H,4-5,10-11,14-15H2,(H,31,38)(H,32,40)(H,33,41)/t21-,22+,23+,24-,27-/m1/s1
• InChIKey: ZVXDIRJSCSUJEV-CHYHEQJZSA-N

Properties

• Density: 1.45g/cm³ (Cal.)
• Boiling point: 1051.722°C at 760 mmHg (Cal.)
• Flash point: 589.86°C (Cal.)