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

• ChemBase编号: 169544
• 分子式: C12H22O11
• 平均质量: 342.29648
• 单一同位素质量: 342.11621152
• SMILES: C1(C(C(C(OC1CO)O)OC1OC(C(C(C1O)O)O)CO)O)O
• Canonical SMILES: OCC1OC(O)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O
• InChI: InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2
• InChIKey: HIWPGCMGAMJNRG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,4,5-triol
• IUPAC传统名: sophorose
• 别名: Gal1-α-2Gal; 2-O-α-D-Galactopyranosyl-D-galactose; 2-O-(α-D-Galactopyranosyl)-D-galactose

登记号

• CAS号: 93601-68-4
• PubChem SID: 162263676
• PubChem CID: 4623424

理论计算性质

• Acid pKa: 11.267477
• 质子受体: 11
• 质子供体: 8
• LogD (pH = 5.5): -4.703376
• LogD (pH = 7.4): -4.7034335
• Log P: -4.703375
• 摩尔折射率: 68.3367 cm^3
• 极化性: 28.969793 Å^3
• 极化表面积: 189.53 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Water
• 外观: White to Off-White Solid
• 熔点: 101-103°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - G154700

2-O-(α-D-Galactopyranosyl)-D-galactose is used in determination of antibody potency in blood serum by ELISA

参考文献

• Abramenko, I.V., et al.: Tsitologiya, 35 (5)
• 91 (5)
• Kelly, R.F., et al.: Mol. Microbiol., 10 (5)
• 615 (5)
• Stortz, C.A., et al.: J. Carbohydr. Chem., 13 (5)
• 235 (5)
• Neethling, F.A., et al.: Transplantation, 57 (5)
• 959 (1994)