(2S,3S,4R,5S,6S)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R)-5,6-dihydroxy-2-(hydroxymethyl)-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

• ChemBase编号: 156600
• 分子式: C24H42O19
• 平均质量: 634.57888
• 单一同位素质量: 634.23202912
• SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]1[C@H](OC([C@@H]([C@H]1O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O)O)O)CO)CO)O)O)O)O)O
• Canonical SMILES: OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O)O)O)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O)O
• InChI: InChI=1S/C24H42O19/c1-5-9(27)12(30)15(33)22(37-5)42-19-17(35)21(36)39-8(4-26)18(19)41-24-20(14(32)11(29)7(3-25)40-24)43-23-16(34)13(31)10(28)6(2)38-23/h5-36H,3-4H2,1-2H3/t5-,6-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16-,17+,18+,19+,20+,21?,22-,23-,24-/m0/s1
• InChIKey: LKOHREGGXUJGKC-NTQZDHPLSA-N

名称和登记号

名称

• IUPAC标准名: (2S,3S,4R,5S,6S)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R)-5,6-dihydroxy-2-(hydroxymethyl)-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
• IUPAC传统名: (2S,3S,4R,5S,6S)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R)-5,6-dihydroxy-2-(hydroxymethyl)-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
• 别名: α-L-Fuc-(1→2)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-D-Glc; 3,2′-Difucosyllactose; Lactodifucotetraose; LDFT Glycan

登记号

• CAS号: 20768-11-0
• MDL号: MFCD00214321
• PubChem SID: 162250737; 24845494
• PubChem CID: 16211038

理论计算性质

• Acid pKa: 11.214136
• 质子受体: 19
• 质子供体: 12
• LogD (pH = 5.5): -6.151227
• LogD (pH = 7.4): -6.151293
• Log P: -6.151226
• 摩尔折射率: 130.0759 cm^3
• 极化性: 55.163776 Å^3
• 极化表面积: 307.37 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

安全信息

• 欧盟危险性物质标志: B
• 德国WGK号: 3
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98.0% (TLC)
• Empirical Formula (Hill Notation): C24H42O19

详细说明

Sigma Aldrich - 03497

Application
Lactodifucotetraose (LDFT Glycan), a LeY (Lewis antigen) carbohydrate, is used as a ligand to analyse binding properties of winged bean agglutinin(s). Lactodifucotetraose competes with monoclonal antibody (mAb) B3 that recognizes an antigen found on many adenocarcinoma cells. LDFT Glycan is used in studies of the specificity of Lewis antigens.