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

• ChemBase编号: 102231
• 分子式: C5H12O5
• 平均质量: 152.14578
• 单一同位素质量: 152.06847348
• SMILES: OC[C@H](O)C(O)[C@@H](O)CO
• 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-/m0/s1
• InChIKey: HEBKCHPVOIAQTA-IMJSIDKUSA-N

名称和登记号

名称

• IUPAC标准名: (2S,4S)-pentane-1,2,3,4,5-pentol
• IUPAC传统名: arabinitol
• 别名: D-(+)-阿糖醇; D-(+)-ARABINITOL; D-(+)-Arabitol; L-(-)-Arabitol; L-Arabinitol; L-(-)-ARABITOL; L-ARABITOL

登记号

• CAS号: 488-82-4; 7643-75-6
• EC号: 207-686-2; 231-582-6
• MDL号: MFCD00004709; MFCD00064290
• Beilstein号: 1720520; 1720521
• 默克索引号: 14762
• PubChem SID: 24890777; 162088419
• PubChem CID: 439255

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

• 熔点: 100-104°C; 101-104 °C(lit.); 101-104°C
• 比旋光度: +132 (c=0.4 in acidified molybdate solution)

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate, Store Under Nitrogen, Protect from light
• 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: ≥98%; 99%
• 产品质量级别: PREMIUM

详细说明

MP Biomedicals - 05207964

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02100715

Crystalline

Sigma Aldrich - A3506

包装
10 mg in autosmp vl
10, 100 g in poly bottle
Application
L-Arabitol, a rare sugar alcohol, is being studied as a food additive that reduces fat deposits in the intestines. L-Arabitol is used as an inducer of xylanase expression in Hypocrea jecorina (Trichoderma reesei). L-Arabitol is used to identify, differentiate and characterize L-arabitol dehydrogenase(s).
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. A3506.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.