Acetic acid (2R,3R,4S,5S,6R)-4,5-diacetoxy-6-acetoxymethyl-2-[(2S,3R,4R,5S,6R)-3-acetylamino-5-hydroxy-6-hydroxymethyl-2-(4-nitro-phenoxy)-tetrahydro-pyran-4-yloxy]-tetrahydro-pyran-3-yl ester | 57467-12-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Acetic acid (2R,3R,4S,5S,6R)-4,5-diacetoxy-6-acetoxymethyl-2-[(2S,3R,4R,5S,6R)-3-acetylamino-5-hydroxy-6-hydroxymethyl-2-(4-nitro-phenoxy)-tetrahydro-pyran-4-yloxy]-tetrahydro-pyran-3-yl ester
• 英文别名: 4-Nitrophenyl 2-(acetylamino)-2-deoxy-3-O-(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)-beta-D-glucopyranoside；[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-4-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
• CAS: 57467-12-6
• 化学式: C₂₈H₃₆N₂O₁₇
• 分子量: 672.597
• InChiKey: NULURJYXRHZLHJ-JLZLBSMASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  47
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  258
• 氢给体数：
  3
• 氢受体数：
  17