(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol

• ChemBase编号: 104430
• 分子式: C12H15NO8
• 平均质量: 301.2494
• 单一同位素质量: 301.07976645
• SMILES: [O-][N+](=O)c1ccc(O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)cc1
• Canonical SMILES: OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O
• InChI: InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1
• InChIKey: IFBHRQDFSNCLOZ-ZIQFBCGOSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
• IUPAC传统名: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
• 别名: p-NITROPHENYL-α-D-GLUCOPYRANOSIDE; 4-Nitrophenyl α-D-glucopyranoside; p-NITROPHENYL α-D-GLUCOPYRANOSIDE; p-Nitrophenyl α-D-glucopyranoside; 4-Nitrophenyl α-D-glucopyranoside; 4-Nitrophenyl α-D-Glucopyranoside; 4-Nitrophenyl α-D-Glucoside; p-Nitrophenol α-D-Glucoside; p-Nitrophenyl α-D-Glucopyranoside

登记号

• CAS号: 3767-28-0
• EC号: 223-189-3
• MDL号: MFCD00064088
• Beilstein号: 92212
• PubChem SID: 162091752; 24897484
• PubChem CID: 92969

理论计算性质

• Acid pKa: 12.200142
• 质子受体: 8
• 质子供体: 4
• LogD (pH = 5.5): -0.6584035
• LogD (pH = 7.4): -0.6584103
• Log P: -0.6584034
• 摩尔折射率: 67.508 cm^3
• 极化性: 26.651247 Å^3
• 极化表面积: 145.2 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: Methanol; Warm Ethanol; Warm Water
• 外观: White Crystals
• 熔点: 209-213°C; 210-216 °C; 214-220°C
• 比旋光度: [α]20/D +218±5°, c = 0.5% in H2O

安全信息

• 保存条件: 0°C; -20°C Freezer
• 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; 2-8°C

产品相关信息

• 纯度: ≥98.0% (HPLC); ≥99%
• 产品质量级别: PREMIUM
• Empirical Formula (Hill Notation): C12H15NO8

详细说明

MP Biomedicals - 05221149

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155912

Crystalline

Sigma Aldrich - N1377

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
包装
1 g in poly tube
5, 25 g in poly bottle

Sigma Aldrich - 73673

Other Notes
Substrate for glucansucrases1; Substrate for yeast α-glucosidase2

Toronto Research Chemicals - N503650

Substrate for α-glucosidase inhibitor.

参考文献

• O'Neill, R., et al.: J. Biol. Chem., 264, 20430 (1989)
• Carpita, N., et al.: Plant J., 3, 1 (1989)
• Henrissat, B., et al.: Biochem. J., 293, 781 (1989)
• Nakai, H., et al.: Biochimie, 89, 49 (1989)