2-methyl{3,6-di-O-acetyl-1,2-dideoxy-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-glucopyrano}[2,1-d]oxazoline | 53167-36-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-methyl{3,6-di-O-acetyl-1,2-dideoxy-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-glucopyrano}[2,1-d]oxazoline
• 英文别名: 4,5-dihydro-2-methyl[1,2-dideoxy-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-α-D-glucopyranoso][2,1-d]oxazole；2-methyl-{3,6-di-O-acetyl-1,2-dideoxy-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-D-glucopyrano}-[2,1-d]-oxazoline；(2S,3R,4S,5S,6R)-2-(((3aR,5R,6S,7R,7aR)-7-acetoxy-5-(acetoxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]oxazol-6-yl)oxy)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate；2,3-dihydrooxazole [2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl]-(1→4)-3,4,6-tri-O-acetyl-β-D-glucopyranoside；(3aR)-7c-acetoxy-5c-acetoxymethyl-2-methyl-(3ar,7ac)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]oxazol-6t-yl tetra-O-acetyl-β-D-galactopyranoside；O³,O⁶-diacetyl-2-amino-O¹,N-ethan-1-yl-1-ylidene-O⁴-(tetra-O-acetyl-β-D-galactopyranosyl)-α-D-2-deoxy-glucopyranose；Per-acetylated N-Acetyllactosamine oxazoline；[(3aR,5R,6S,7R,7aR)-7-acetyloxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methyl acetate
• CAS: 53167-36-5
• 化学式: C₂₆H₃₅NO₁₆
• 分子量: 617.561
• InChiKey: NZWXUILGHBRKJY-GNIOKVDUSA-N

物化性质

• 沸点：
  644.1±55.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  43
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  207
• 氢给体数：
  0
• 氢受体数：
  17