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

• ChemBase编号: 134135
• 分子式: C12H22O11
• 平均质量: 342.29648
• 单一同位素质量: 342.11621152
• SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]1[C@H](O[C@]([C@H]1O)(CO)O)CO)O)O)O)O
• Canonical SMILES: OC[C@H]1O[C@@]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)(O)CO
• InChI: 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
• InChIKey: JCQLYHFGKNRPGE-WJONTELPSA-N

名称和登记号

名称

• IUPAC标准名: (2S,3R,4S,5R,6R)-2-{[(2R,3S,4S,5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• IUPAC传统名: (2S,3R,4S,5R,6R)-2-{[(2R,3S,4S,5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• 别名: 4-O-β-D-Galactopyranosyl-D-fructofuranose; 4-O-β-D-Galactopyranosyl-D-fructose; Lactulose

登记号

• CAS号: 4618-18-2
• EC号: 225-027-7
• MDL号: MFCD00151469
• Beilstein号: 93773
• PubChem SID: 162228412; 24896485; 24882124
• PubChem CID: 16217605

理论计算性质

• Acid pKa: 10.279233
• 质子受体: 11
• 质子供体: 8
• LogD (pH = 5.5): -4.528842
• LogD (pH = 7.4): -4.5294075
• Log P: -4.528835
• 摩尔折射率: 68.7741 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: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 比旋光度: [α]20/D -48±2°, 24 hr, c = 1% in H2O

安全信息

• RTECS编号: LS6965000
• 德国WGK号: 2
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥95%; ≥98.0% (HPLC)
• 级别: purum
• Empirical Formula (Hill Notation): C12H22O11

详细说明

Sigma Aldrich - 61360

Application
Lactulose, a disaccharide composed of fructose and galactose units, is used as an osmolyte that relieves constipation and supports probiotic processes in the intestine and colon. Lactulose helps stabilize blood glucose and insulin levels.