4-O-[4-O-(alpha-D-吡喃葡萄糖基)-beta-D-吡喃葡萄糖基]-5-(羟基甲基)-1-[[(1S,4R,5S,6S)-4,5,6-三羟基-3-(羟基甲基)-2-环己烯-1-基]氨基]-1,5,6-三脱氧-D-手性-肌醇
[CAS 12650-71-4]

基本信息

• 产品名称: 4-O-[4-O-(alpha-D-吡喃葡萄糖基)-beta-D-吡喃葡萄糖基]-5-(羟基甲基)-1-[[(1S,4R,5S,6S)-4,5,6-三羟基-3-(羟基甲基)-2-环己烯-1-基]氨基]-1,5,6-三脱氧-D-手性-肌醇
• 英文名: 4-O-[4-O-(alpha-D-Glucopyranosyl)-beta-D-Glucopyranosyl]-5-(Hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-Trihydroxy-3-(Hydroxymethyl)-2-Cyclohexen-1-Yl]Amino]-1,5,6-Trideoxy-D-Chiro-Inositol
• 别名: 2-[6-[2,3-Dihydroxy-6-(Hydroxymethyl)-4-[[4,5,6-Trihydroxy-3-(Hydroxymethyl)-1-Cyclohex-2-Enyl]Amino]Cyclohexoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; 2-[[6-[2,3-Dihydroxy-6-(Hydroxymethyl)-4-[[4,5,6-Trihydroxy-3-(Hydroxymethyl)-1-Cyclohex-2-Enyl]Amino]Cyclohexoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; 2-[6-[2,3-Dihydroxy-6-Methylol-4-[(4,5,6-Trihydroxy-3-Methylol-1-Cyclohex-2-Enyl)Amino]Cyclohexoxy]-4,5-Dihydroxy-2-Methylol-Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• 分子式: C₂₆H₄₅NO₁₈
• 分子量: 659.64
• CAS 登录号: 12650-71-4
• 分子行输入简码 SMILES: C(O)C3OC(OC2C(O)C(O)C(NC1C(O)C(O)C(O)C(=C1)CO)CC2CO)C(O)C(O)C3OC4OC(C(O)C(O)C4O)CO
• 国际化学标识码 InChI: 1S/C26H45NO18/c28-3-7-1-9(14(33)17(36)13(7)32)27-10-2-8(4-29)23(19(38)15(10)34)44-26-22(41)20(39)24(12(6-31)43-26)45-25-21(40)18(37)16(35)11(5-30)42-25/h1,8-41H,2-6H2
• 国际化学标识检索码 InChIKey: MSZAIRLAOKNKFW-UHFFFAOYSA-N

物理化学性质

• 密度: 1.749g/cm³ （计算值）
• 沸点: 984.829°C at 760 mmHg （计算值）
• 闪点: 549.405°C （计算值）