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

• ChemBase编号: 104278
• 分子式: C30H52O26
• 平均质量: 828.71828
• 单一同位素质量: 828.27468178
• SMILES: O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
• Canonical SMILES: OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]2[C@@H](CO)O[C@@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
• InChI: InChI=1S/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27-,28-,29-,30-/m1/s1
• InChIKey: FTNIPWXXIGNQQF-DWTFCAFKSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• IUPAC传统名: α-maltopentaose
• 别名: 麦芽五糖; 麦芽五糖; 麦芽五糖，DP5; MALTOPENTAOSE; Maltopentaose; Maltopentaose; Maltopentose, DP5

登记号

• CAS号: 34620-76-3
• EC号: 252-118-9
• MDL号: MFCD00151333
• Beilstein号: 79498
• PubChem SID: 162091583; 24897224; 24871572
• PubChem CID: 13489094

理论计算性质

• Acid pKa: 11.170696
• 质子受体: 26
• 质子供体: 17
• LogD (pH = 5.5): -10.0158825
• LogD (pH = 7.4): -10.015955
• Log P: -10.015882
• 摩尔折射率: 165.5766 cm^3
• 极化性: 70.4128 Å^3
• 极化表面积: 426.98 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: H2O: soluble50 mg/mL, clear, colorless

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3
• 安全公开号: 22-24/25

产品相关信息

• 纯度: ≥95%; ≥95% (HPLC)
• 级别: analytical standard
• 包装: ampule of 100 mg
• 杂质: ≤6% water
• 特征: standard type oligosaccharide
• Empirical Formula (Hill Notation): C30H52O26

详细说明

Sigma Aldrich - M8128

包装
50, 100, 500 mg in poly bottle

Sigma Aldrich - 63417

Other Notes
End-product of starch hydrolysis by amylase A-180 from the culture fluid of an alkaliphilic bacteria1