(1S,2S,6S)-9-(羟基甲基)-2-[(2S,3R,4S,5R,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基-3-氧杂双环[4.3.0]壬-4,8-二烯-5-羧酸
[CAS 27932-72-5]

基本信息

• 产品名称: (1S,2S,6S)-9-(羟基甲基)-2-[(2S,3R,4S,5R,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基-3-氧杂双环[4.3.0]壬-4,8-二烯-5-羧酸
• 英文名: (1S,2S,6S)-9-(Hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3-Oxabicyclo[4.3.0]Nona-4,8-Diene-5-Carboxylic Acid
• 别名: (1S,4As,7As)-7-(Hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,4A,5,7A-Tetrahydrocyclopenta[D]Pyran-4-Carboxylic Acid; (1S,4As,7As)-7-(Hydroxymethyl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,4A,5,7A-Tetrahydrocyclopenta[D]Pyran-4-Carboxylic Acid; (1S,4As,7As)-7-Methylol-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,4A,5,7A-Tetrahydrocyclopenta[D]Pyran-4-Carboxylic Acid
• 分子式: C₁₆H₂₂O₁₀
• 分子量: 374.34
• CAS 登录号: 27932-72-5
• 分子行输入简码 SMILES: [C@@H]13[C@@H](C(=CO[C@H]1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)C(=O)O)CC=C3CO
• 国际化学标识码 InChI: 1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
• 国际化学标识检索码 InChIKey: ZJDOESGVOWAULF-OGJQONSISA-N

物理化学性质

• 密度: 1.649g/cm³ （计算值）
• 沸点: 684.115°C at 760 mmHg （计算值）
• 闪点: 250.905°C （计算值）