乳果糖
[CAS# 576-08-9]

基本信息

• 产品名称: 乳果糖
• 英文名: Lactulose
• 别名: (2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R)-4,5-Dihydroxy-2,5-Bis(Hydroxymethyl)Tetrahydrofuran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R)-4,5-Dihydroxy-2,5-Bis(Hydroxymethyl)-3-Tetrahydrofuranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5R,6R)-2-[(2R,3S,4S,5R)-4,5-Dihydroxy-2,5-Dimethylol-Tetrahydrofuran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• 分子式: C₁₂H₂₂O₁₁
• 分子量: 342.30
• CAS 登录号: 576-08-9
• 分子行输入简码 SMILES: [C@]2([C@H]([C@H](O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@H](O2)CO)O)(O)CO
• 国际化学标识码 InChI: 1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1
• 国际化学标识检索码 InChIKey: JCQLYHFGKNRPGE-FCVZTGTOSA-N

物理化学性质

• 密度: 1.8±0.1g/cm³ （计算值）
• 沸点: 680.5±55.0°C at 760 mmHg （计算值）
• 闪点: 365.4±31.5°C （计算值）

参考文献

• (1): Tapan Sanghvi, Nina Ni, Michael Mayersohn, Samuel H. Yalkowsky. Predicting Passive Intestinal Absorption Using A Single Parameter, QSAR Comb. Sci. 2003, 22(2), 247-257131 compounds and their 'Fraction Absorbed' values have been obtained from the table given in the paper. Some compounds had multiple values reported (as obtained from various references). These have been averaged and provided by us in the SDF and AMP files. The "Sanghvi_values.txt" file contains all data (as reported in Table 1) and "Sanghvi_avg_values.txt" contains averaged data for compounds with multiple entries (as reported in Table 2). "Benserazide, HCl" was retrieved as "Benserazide", "Ceftriaxone, Na" as "Ceftriaxone", "Foscarnet, Na" as "Foscarnet", "L-Dopa" as "Levodopa", "L-Leucine" as "Leucine" and "Triacrilast" as "Tiacrilast". The last compound was found to be mispelt as checked from the original reference.
• (2): Zhao YH, Abraham MH, Le J, Hersey A, Luscombe CN, Beck G, Sherborne B, and Cooper I. Rate-limited Steps of Human Oral Absorption and QSAR Studies, Pharm Res., 2002, 19(10), 1446-57
• (3): Susanne Striegler and Moses G. Gichinga. Disaccharide recognition by binuclear copper(ii) complexes, Chem. Commun., 2008, 5930.