2-Nitrophenyl-2-Acetamido-2-Deoxy-6-O-beta-Galactopyranosyl-alpha-Galactopyranoside
[CAS# 93496-42-5]

Identification

• Name: 2-Nitrophenyl-2-Acetamido-2-Deoxy-6-O-beta-Galactopyranosyl-alpha-Galactopyranoside
• Synonyms: N-[(2R,3R,4R,5R,6R)-4,5-Dihydroxy-2-(2-Nitrophenoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3-Yl]Acetamide; N-[(2R,3R,4R,5R,6R)-4,5-Dihydroxy-2-(2-Nitrophenoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-Trihy
• Molecular Formula: C₂₀H₂₈N₂O₁₃
• Molecular Weight: 504.45
• CAS Registry Number: 93496-42-5
• SMILES: [C@H]1(NC(=O)C)[C@H](O[C@@H]([C@H](O)[C@@H]1O)CO[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)OC3=C([N+]([O-])=O)C=CC=C3
• InChI: 1S/C20H28N2O13/c1-8(24)21-13-16(27)15(26)12(7-32-20-18(29)17(28)14(25)11(6-23)34-20)35-19(13)33-10-5-3-2-4-9(10)22(30)31/h2-5,11-20,23,25-29H,6-7H2,1H3,(H,21,24)/t11-,12-,13-,14+,15+,16-,17+,18-,19+,20-/m1/s1
• InChIKey: SAJXDJSYKBUIHI-SNPNIOAASA-N

Properties

• Density: 1.62g/cm³ (Cal.)
• Boiling point: 874.979°C at 760 mmHg (Cal.)
• Flash point: 482.97°C (Cal.)