(2S,4S,5R,6R)-5-乙酰氨基-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-5-氨基-1,2,4-三羟基-6-氧代-己烷-3-基]氧基-3,5-二羟基-6-(羟基甲基)四氢吡喃-4-基]氧基-4-羟基-6-[(1R,2R)-1,2,3-三羟基丙基]四氢吡喃-2-羧酸
[CAS# 126151-66-4]

基本信息

• 产品名称: (2S,4S,5R,6R)-5-乙酰氨基-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-5-氨基-1,2,4-三羟基-6-氧代-己烷-3-基]氧基-3,5-二羟基-6-(羟基甲基)四氢吡喃-4-基]氧基-4-羟基-6-[(1R,2R)-1,2,3-三羟基丙基]四氢吡喃-2-羧酸
• 英文名: (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-5-Amino-1,2,4-Trihydroxy-6-Oxo-Hexan-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Oxane-2-Carboxylic Acid
• 别名: (2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(1S,2R,3R)-3-Amino-1-[(1R)-1,2-Dihydroxyethyl]-2-Hydroxy-4-Oxo-Butoxy]-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-2-[[(2S,3R,4S,5S,6R)-2-[(1S,2R,3R)-3-Amino-1-[(1R)-1,2-Dihydroxyethyl]-2-Hydroxy-4-Oxobutoxy]-3,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; (2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(1S,2R,3R)-3-Amino-1-[(1R)-1,2-Dihydroxyethyl]-2-Hydroxy-4-Keto-Butoxy]-3,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxy-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid
• 分子式: C₂₃H₄₀N₂O₁₈
• 分子量: 632.57
• CAS 登录号: 126151-66-4
• 分子行输入简码 SMILES: [C@]1(O[C@H]([C@H](NC(=O)C)[C@@H](O)C1)[C@H](O)[C@H](O)CO)(O[C@H]2[C@@H](O)[C@H](O[C@@H](O[C@@H]([C@H](O)[C@@H](N)C=O)[C@H](O)CO)[C@@H]2O)CO)C(O)=O
• 国际化学标识码 InChI: 1S/C23H40N2O18/c1-7(30)25-13-9(31)2-23(22(38)39,42-19(13)15(35)10(32)4-27)43-20-16(36)12(6-29)40-21(17(20)37)41-18(11(33)5-28)14(34)8(24)3-26/h3,8-21,27-29,31-37H,2,4-6,24H2,1H3,(H,25,30)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20-,21-,23-/m0/s1
• 国际化学标识检索码 InChIKey: MKNNYTWMAUAKMA-FHHHURIISA-N

物理化学性质

• 密度: 1.696g/cm³ （计算值）
• 沸点: 1127.305°C at 760 mmHg （计算值）
• 闪点: 635.571°C （计算值）