disodium hydrate [(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl phosphate

• ChemBase编号: 155105
• 分子式: C6H13Na2O10P
• 平均质量: 322.114721
• 单一同位素质量: 322.00417181
• SMILES: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)([O-])[O-].O.[Na+].[Na+]
• Canonical SMILES: OC[C@@]1(O)O[C@@H]([C@H]([C@@H]1O)O)COP(=O)([O-])[O-].O.[Na+].[Na+]
• InChI: InChI=1S/C6H13O9P.2Na.H2O/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13;;;/h3-5,7-10H,1-2H2,(H2,11,12,13);;;1H2/q;2*+1;/p-2/t3-,4-,5+,6-;;;/m1.../s1
• InChIKey: VSCMQICEHMPOEC-HTKRKRNRSA-L

名称和登记号

名称

• IUPAC标准名: disodium hydrate [(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl phosphate
• IUPAC传统名: disodium hydrate β-D-fructose 6-phosphate
• 别名: D-果糖-6-磷酸 二钠盐 水合物; D-Fructose 6-phosphate disodium salt hydrate

登记号

• CAS号: 26177-86-6(anhydrous)
• EC号: 247-505-4
• MDL号: MFCD16661244
• Beilstein号: 5686786
• PubChem SID: 24871481; 162249243
• PubChem CID: 16213210

理论计算性质

• Acid pKa: 1.2216753
• 质子受体: 8
• 质子供体: 4
• LogD (pH = 5.5): -5.32372
• LogD (pH = 7.4): -6.4153204
• Log P: -2.8815653
• 摩尔折射率: 44.9903 cm^3
• 极化性: 19.553816 Å^3
• 极化表面积: 162.57 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble0.1 g/mL, clear to slightly hazy, colorless to faintly yellow
• 外观: amorphous powder

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 1; 3
• 危险公开号: 20/21/22-68/20/21/22
• 安全公开号: 36/37; 36/37-45
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H302-H371
• GHS警示性声明: P260
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98%; ≥98.0% (enzymatic)
• 杂质: <0.05 mol % fructose 1,6-diphosphate; <1.5 mol % glucose 6-phosphate; ≤0.05% fructose-1,6-diphosphate; ≤1.5% glucose-6-phosphate; ≤15% water; ≤3% alcohol
• 产品质量级别: PREMIUM
• Empirical Formula (Hill Notation): C6H11Na2O9P · xH2O

详细说明

Sigma Aldrich - F3627

Biochem/physiol Actions
Fructose-6-phosphate is a glycolytic intermediate produced by the isomerization of glucose-6-phosphate by phosphoglucoisomerase.
包装
10 mg in autosmp vl
Application
D-Fructose 6-phosphate (F6P) is a sugar intermediate of the glycolytic pathway used to identify, differentiate and characterize enzymes such as phosphofructokinase(s), pyrophosphate-dependent fructose-6-phosphate 1-phosphotransferase(s) and glutamine:fructose-6-phosphate amidotransferase(s).
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. F3627.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - 47825

Biochem/physiol Actions
Fructose-6-phosphate is a glycolytic intermediate produced by the isomerization of glucose-6-phosphate by phosphoglucoisomerase.