[苯基甲基-[(2S,3R,4R,5R)-2,3,5,6-四羟基-4-[(2S,3R,4S,5R,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基己基]氨基]二硫代甲酸
[CAS# 126753-66-0]

基本信息

• 产品名称: [苯基甲基-[(2S,3R,4R,5R)-2,3,5,6-四羟基-4-[(2S,3R,4S,5R,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基己基]氨基]二硫代甲酸
• 英文名: [Phenylmethyl-[(2S,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyhexyl]Amino]Methanedithioic Acid
• 别名: [Phenylmethyl-[(2S,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Hexyl]Amino]Methanedithioic Acid; [Phenylmethyl-[(2S,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Hexyl]Amino]Methanedithioic Acid; [Benzyl-[(2S,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Hexyl]Amino]Methanedithioic Acid
• 分子式: C₂₀H₃₁NO₁₀S₂
• 分子量: 509.59
• CAS 登录号: 126753-66-0
• 分子行输入简码 SMILES: [C@@H]1([C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CN(C(S)=S)CC2=CC=CC=C2)O)O
• 国际化学标识码 InChI: 1S/C20H31NO10S2/c22-8-12(25)18(31-19-17(29)16(28)15(27)13(9-23)30-19)14(26)11(24)7-21(20(32)33)6-10-4-2-1-3-5-10/h1-5,11-19,22-29H,6-9H2,(H,32,33)/t11-,12+,13+,14+,15-,16-,17+,18+,19-/m0/s1
• 国际化学标识检索码 InChIKey: JGRGMNUUTJDQJK-GSKLIESDSA-N

物理化学性质

• 密度: 1.581g/cm³ （计算值）
• 沸点: 834.038°C at 760 mmHg （计算值）
• 闪点: 458.21°C （计算值）