(2R,4R)-pentane-1,2,3,4,5-pentol

• ChemBase编号: 102230
• 分子式: C5H12O5
• 平均质量: 152.14578
• 单一同位素质量: 152.06847348
• SMILES: C([C@H](C([C@@H](CO)O)O)O)O
• Canonical SMILES: OC[C@H](C([C@@H](CO)O)O)O
• InChI: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1
• InChIKey: HEBKCHPVOIAQTA-QWWZWVQMSA-N

名称和登记号

名称

• IUPAC标准名: (2R,4R)-pentane-1,2,3,4,5-pentol
• IUPAC传统名: arabitol
• 别名: L-(-)-阿拉伯醇; D-(+)-Arabitol; D-Arabinitol; D-(+)-ARABITOL; Arabinitol; Lyxitol; Arabitol; L-(-)-Arabitol

登记号

• CAS号: 488-82-4; 7643-75-6
• EC号: 231-582-6; 207-686-2
• MDL号: MFCD00004709; MFCD00064290
• Beilstein号: 1720520; 1720521
• 默克索引号: 14762
• PubChem SID: 162088640; 24890762
• PubChem CID: 94154
• CHEBI ID: 18333
• Chemspider ID: 84971
• 维基百科标题: Arabitol

理论计算性质

• Acid pKa: 12.760078
• 质子受体: 5
• 质子供体: 5
• LogD (pH = 5.5): -3.099684
• LogD (pH = 7.4): -3.099686
• Log P: -3.099684
• 摩尔折射率: 32.4411 cm^3
• 极化性: 13.261178 Å^3
• 极化表面积: 101.15 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, colorless; Miscible in water
• 外观: Prismatic crystals
• 熔点: 101-104 °C; 103°C; 103-104°C; 98-103°C
• 比旋光度: [α]20/D +11±1°, c = 5% in 8% borax solution; -11 (c=5 in 8% borax soln)
• 甜度: 0.7 × sucrose

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Hygroscopic
• 德国WGK号: 3
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥99%; ≥99.0% (sum of enantiomers, HPLC); 98%
• Empirical Formula (Hill Notation): C5H12O5

详细说明

MP Biomedicals - 02100711

Crystalline

Sigma Aldrich - A3381

Biochem/physiol Actions
Used to produce xylitol via biotransformation.1
包装
25, 100, 250 g in poly bottle
Application
D-Arabitol, a rare sugar alcohol, is a substrate used to identify, differentiate and characterize enzyme such as the gluconobacter oxydans dehydrogenase(s), Gox2181, hyperthermophilic D-arabitol dehydrogenase from Thermotoga maritime and NAD-dependent D-arabitoldehydrogenase from acetic acid bacterium, Acetobacter suboxydans.

Sigma Aldrich - 10880

Biochem/physiol Actions
Used to produce xylitol via biotransformation.1
Other Notes
Selective 1,3-O-benzylidenation2,3; Selective 2,3:4,5-O-diisopropylidenation4