disodium hydrate (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphate

• ChemBase编号: 133554
• 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@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)O.O.[Na+].[Na+]
• Canonical SMILES: OC[C@H]1O[C@H](OP(=O)([O-])[O-])[C@@H]([C@H]([C@@H]1O)O)O.O.[Na+].[Na+]
• InChI: InChI=1S/C6H13O9P.2Na.H2O/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;;/h2-10H,1H2,(H2,11,12,13);;;1H2/q;2*+1;/p-2/t2-,3-,4+,5-,6-;;;/m1.../s1
• InChIKey: YWAUQXHOCBBYLP-FBNUBEQJSA-L

名称和登记号

名称

• IUPAC标准名: disodium hydrate (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphate
• IUPAC传统名: disodium hydrate α-D-glucose 1-phosphate(2-)
• 别名: α-D-Glucopyranose 1-phosphate; Cori ester; α-D-Glucose 1-phosphate disodium salt hydrate

登记号

• CAS号: 56401-20-8
• EC号: 260-154-1
• MDL号: MFCD00150837
• PubChem SID: 24895371; 24895053; 162227831; 24895281; 24895284
• PubChem CID: 16219389

理论计算性质

• Acid pKa: 1.1553719
• 质子受体: 8
• 质子供体: 4
• LogD (pH = 5.5): -5.503452
• LogD (pH = 7.4): -6.614425
• Log P: -3.0561051
• 摩尔折射率: 44.5529 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: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: lyophilized powder
• 比旋光度: [α]21/D +79.9°, c = 4.1 in H2O

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
• 保存温度: -20°C

产品相关信息

• 纯度: ≥95%; ≥97%; ≥98%; 98%; 98-99%
• 杂质: 0.01-0.2% α-D-glucose 1,6-diphosphate; glucose and starch, essentially free; glucose, starch, and ethanol, essentially free; α-D-glucose 1,6-diphosphate, glucose and starch, essentially free
• Foreign Activity: α-D-glucose 1,6-diphosphate ~1% (usually sufficient to catalyze the assay of phosphoglucomutase)
• 线性分子式: C6H11O9PNa2 · xH2O

详细说明

Sigma Aldrich - G9380

Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. G9380.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - G7018

包装
10 mg in autosmp vl

Sigma Aldrich - G7000

包装
1, 5, 10, 25, 100 g in poly bottle
Preparation Note
Prepared by a modification of the procedure of McCready, R.M., et al., J. Am. Chem. Soc., 66, 560 (1944).

Sigma Aldrich - 862177

包装
25 g in poly bottle