(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-二羟基-2-(羟基甲基)-6-异硫氰酸基四氢吡喃-3-基]氧基-6-(羟基甲基)四氢吡喃-3,4,5-三醇
[CAS# 106848-83-3]

基本信息

• 产品名称: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-二羟基-2-(羟基甲基)-6-异硫氰酸基四氢吡喃-3-基]氧基-6-(羟基甲基)四氢吡喃-3,4,5-三醇
• 英文名: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-Dihydroxy-2-(Hydroxymethyl)-6-Isothiocyanatooxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
• 别名: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-Dihydroxy-2-(Hydroxymethyl)-6-Isothiocyanato-Tetrahydropyran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R)-4,5-Dihydroxy-2-(Hydroxymethyl)-6-Isothiocyanato-3-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-Dihydroxy-6-Isothiocyanato-2-Methylol-Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• 分子式: C₁₃H₂₁NO₁₀S
• 分子量: 383.37
• CAS 登录号: 106848-83-3
• 分子行输入简码 SMILES: [C@@H]1(C(O[C@@H]([C@H]([C@@H]1O)O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O2)CO)CO)N=C=S)O
• 国际化学标识码 InChI: 1S/C13H21NO10S/c15-1-4-6(17)7(18)10(21)13(23-4)24-11-5(2-16)22-12(14-3-25)9(20)8(11)19/h4-13,15-21H,1-2H2/t4-,5-,6+,7+,8-,9-,10-,11-,12?,13+/m1/s1
• 国际化学标识检索码 InChIKey: ZBRBEHIGVFMFAH-LTEQSDMASA-N

物理化学性质

• 密度: 1.929g/cm³ （计算值）
• 沸点: 728.083°C at 760 mmHg （计算值）
• 闪点: 394.13°C （计算值）