(3R,4S,5R)-oxane-2,3,4,5-tetrol

• ChemBase编号: 130864
• 分子式: C5H10O5
• 平均质量: 150.1299
• 单一同位素质量: 150.05282342
• SMILES: C1[C@H]([C@@H]([C@H](C(O1)O)O)O)O
• Canonical SMILES: O[C@@H]1COC([C@@H]([C@H]1O)O)O
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1
• InChIKey: SRBFZHDQGSBBOR-IOVATXLUSA-N

名称和登记号

名称

• IUPAC标准名: (3R,4S,5R)-oxane-2,3,4,5-tetrol
• IUPAC传统名: d-xylose
• 别名: D-(+)-木糖; D-(+)-Xylose; (3R,4S,5R)-oxane-2,3,4,5-tetrol

登记号

• CAS号: 58-86-6
• EC号: 200-400-7
• MDL号: MFCD00064360
• Beilstein号: 1562108
• PubChem SID: 24902132; 24902143; 162225142; 24870807; 24890196
• PubChem CID: 135191
• FEMA编号: 3606

理论计算性质

• Acid pKa: 11.310624
• 质子受体: 5
• 质子供体: 4
• LogD (pH = 5.5): -2.3022048
• LogD (pH = 7.4): -2.3022575
• Log P: -2.3022044
• 摩尔折射率: 29.9609 cm^3
• 极化性: 12.6405 Å^3
• 极化表面积: 90.15 Å^2
• 可自由旋转的化学键: 0
• 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, colorless; H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble1 M, clear, colorless
• 熔点: 154-158 °C(lit.)
• 比旋光度: [α]20/D +18.8°, c = 10 in H2O; [α]20/D +18.8°, c = 4 in H2O; [α]20/D +20.0±1°, 10 hr, c = 10% in H2O; [α]20/D +20±1°, 10 hr, c = 10% in H2O
• 紫外吸收波长: λ: 260 nm Amax: 0.05; λ: 280 nm Amax: 0.05
• 疏水性(logP): -2.181
• pH值: 4.0-6.0 (25 °C, 1 M in H2O)
• 感官: smoky

安全信息

• RTECS编号: ZF2285000
• 德国WGK号: 2
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98.0% (sum of enantiomers, HPLC); ≥99%; ≥99.0% (sum of enantiomers, HPLC); 95%; 98.0-101.0%; 99%
• 级别: analytical standard; for biotechnological purposes; NI; SAJ special grade
• 包装: ampule of 500 mg
• 燃烧残渣: ≤0.1%; ≤0.2% (as SO4)
• 杂质: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter; insoluble matter, passes filter test
• 痕量阳离子: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.0005%; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Fe: ≤0.0005%; Fe: ≤5 mg/kg; K: ≤0.005%; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤50 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Pb: ≤0.001%; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤0.05%; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.05%; sulfate (SO42-): ≤50 mg/kg
• 干燥失重: ≤0.2% loss on drying, 110 °C
• λ: 1 M in H2O
• 产品线: BioUltra
• Empirical Formula (Hill Notation): C5H10O5

详细说明

Sigma Aldrich - 95729

Application
D-Xylose, an aldopentose, is used as a feed stock to produce the non-caloric sweetener, xylitol, and commercially valuable ethanol.

Sigma Aldrich - W360600

Features and Benefits
烟味

Sigma Aldrich - 95730

Other Notes
D-Xylose can also be used as starting material in EPC synthesis1

Sigma Aldrich - X1500

包装
1 kg in poly bottle
10 mg in autosmp vl
500 g in poly bottle
Quality
白色至灰白色。

Sigma Aldrich - X3877

Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. X3877.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.