3,4,5-trihydroxy-6-(phosphonooxy)oxane-2-carboxylic acid lithium

• ChemBase编号: 155173
• 分子式: C6H11LiO10P
• 平均质量: 281.060301
• 单一同位素质量: 281.02498773
• SMILES: [Li].C1(C(C(OC(C1O)OP(=O)(O)O)C(=O)O)O)O
• Canonical SMILES: OC1C(O)C(OC(C1O)C(=O)O)OP(=O)(O)O.[Li]
• InChI: InChI=1S/C6H11O10P.Li/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14;/h1-4,6-9H,(H,10,11)(H2,12,13,14)
• InChIKey: NHVDDQBTNXSQKF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,4,5-trihydroxy-6-(phosphonooxy)oxane-2-carboxylic acid lithium
• IUPAC传统名: 3,4,5-trihydroxy-6-(phosphonooxy)oxane-2-carboxylic acid lithium
• 别名: α-D-Galacturonic acid 1-phosphate lithium salt

登记号

• MDL号: MFCD00057548
• PubChem SID: 162249311; 24895190
• PubChem CID: 16219417

理论计算性质

• Acid pKa: 1.1499391
• 质子受体: 9
• 质子供体: 6
• LogD (pH = 5.5): -7.350473
• LogD (pH = 7.4): -9.642143
• Log P: -2.7358308
• 摩尔折射率: 46.6637 cm^3
• 极化性: 19.877356 Å^3
• 极化表面积: 173.98 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 保存温度: -20°C

产品相关信息

• Empirical Formula (Hill Notation): C6H11O10P · xLi+

详细说明

Sigma Aldrich - G4884

General description
α-D-Galacturonic acid was found to be a component of Lipid A isolated from Mesorhizobium huakuii. 1