sodium [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate

• ChemBase编号: 132310
• 分子式: C6H12NaO9P
• 平均质量: 282.117611
• 单一同位素质量: 282.01166288
• SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)[O-].[Na+]
• Canonical SMILES: O[C@@H]1O[C@H](COP(=O)(O)[O-])[C@H]([C@@H]([C@H]1O)O)O.[Na+]
• InChI: InChI=1S/C6H13O9P.Na/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;/h2-10H,1H2,(H2,11,12,13);/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1
• InChIKey: ZALKNDISPIVVKC-WYRLRVFGSA-M

名称和登记号

名称

• IUPAC标准名: sodium [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate
• IUPAC传统名: sodium [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate
• 别名: G-6-P Na; Robison ester; D-Glucose 6-phosphate sodium salt; D(+)-Glucopyranose 6-phosphate sodium salt

登记号

• CAS号: 54010-71-8
• EC号: 258-921-0
• MDL号: MFCD00006611
• Beilstein号: 5787568
• PubChem SID: 24895324; 162226587
• PubChem CID: 23702133

理论计算性质

• Acid pKa: 1.2229363
• 质子受体: 8
• 质子供体: 5
• LogD (pH = 5.5): -5.498048
• LogD (pH = 7.4): -6.5882425
• Log P: -3.0561051
• 摩尔折射率: 45.6746 cm^3
• 极化性: 19.673773 Å^3
• 极化表面积: 159.74 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

• 溶解度: H2O: soluble50 mg/mL, clear, colorless to very faintly yellow
• 外观: crystalline
• 熔点: 204 °C (dec.)(lit.)
• 比旋光度: [α]20/D +34±1°, c = 10% in H2O; [α]25/D +33°, c = 10 in H2O
• pH值: 3.5-4.5 (25 °C, 0.5 g/10 mL 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: 2-8°C

产品相关信息

• 纯度: ≥98.0% (enzymatic)
• 级别: Sigma Grade
• 产品质量级别: PREMIUM
• 品质说明: anhydrous; crystallized
• Empirical Formula (Hill Notation): C6H12NaO9P

详细说明

Sigma Aldrich - G7879

Biochem/physiol Actions
In cells, D-glucose 6-phosphate (G6P) is generated when glucose is phosphorylated by hexokinase or glucokinase or by the conversion of glucose-1-phosphate by phosphoglucomutase during glycogenolysis. G6P lies at the beginning of both glycolysis and the pentose phosphate pathways. It also can be stored as glycogen when blood glucose levels are high.
Caution
Non-hygroscopic, and very stable to atmospheric moisture at room temperature, unlike the disodium salt.
包装
1, 5, 25 g in poly bottle
500 mg in poly bottle

Sigma Aldrich - 285978

包装
1, 5 g in glass bottle

Sigma Aldrich - 49282

Application
Substrate for the determination of glucose-6-phosphate dehydrogenase, EC 1.1.1.491