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

• ChemBase编号: 155719
• 分子式: C24H42O21
• 平均质量: 666.57768
• 单一同位素质量: 666.22185836
• SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O[C@H]1[C@@H]([C@H](OC([C@@H]1O)O)CO)O)CO)O)CO)O)O)O)O)O
• Canonical SMILES: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)C(O)O[C@@H]([C@H]2O)CO)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O
• InChI: InChI=1S/C24H42O21/c25-1-5-9(29)13(33)14(34)22(40-5)44-19-11(31)7(3-27)42-24(16(19)36)45-20-12(32)8(4-28)41-23(17(20)37)43-18-10(30)6(2-26)39-21(38)15(18)35/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14-,15-,16-,17-,18+,19+,20+,21?,22+,23+,24+/m1/s1
• InChIKey: OLBQXBHLZOAVSV-UKPDYPBGSA-N

名称和登记号

名称

• IUPAC标准名: (2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• IUPAC传统名: (2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• 别名: Laminaritetraose

登记号

• MDL号: MFCD01862229
• PubChem SID: 162249857
• PubChem CID: 71312211

理论计算性质

• Acid pKa: 11.190538
• 质子受体: 21
• 质子供体: 14
• LogD (pH = 5.5): -8.245047
• LogD (pH = 7.4): -8.245116
• Log P: -8.245047
• 摩尔折射率: 133.1633 cm^3
• 极化性: 56.598408 Å^3
• 极化表面积: 347.83 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 外观: lyophilized powder

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥90% (HPLC)
• Empirical Formula (Hill Notation): C24H42O21

详细说明

Sigma Aldrich - L1789

Application
Used as a substrate for glucanases.