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

• ChemBase编号: 153878
• 分子式: C6H12O6
• 平均质量: 180.15588
• 单一同位素质量: 180.0633881
• SMILES: C([C@H]1[C@@H]([C@@H]([C@@H](C(O1)O)O)O)O)O
• Canonical SMILES: OC[C@@H]1OC(O)[C@H]([C@H]([C@H]1O)O)O
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m0/s1
• InChIKey: WQZGKKKJIJFFOK-HOWGCPQDSA-N

名称和登记号

名称

• IUPAC标准名: (3S,4S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
• IUPAC传统名: dl-allose
• 别名: L-Allose

登记号

• CAS号: 7635-11-2
• EC号: 231-565-3
• MDL号: MFCD00085373
• PubChem SID: 162248017
• PubChem CID: 12285879

理论计算性质

• Acid pKa: 11.298101
• 质子受体: 6
• 质子供体: 5
• LogD (pH = 5.5): -2.93254
• LogD (pH = 7.4): -2.932594
• Log P: -2.9325392
• 摩尔折射率: 35.9234 cm^3
• 极化性: 15.155883 Å^3
• 极化表面积: 110.38 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 比旋光度: [α]/D -13.0±1.0°, c = 1 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: -20°C

产品相关信息

• 纯度: ≥97.0% (HPLC)
• Empirical Formula (Hill Notation): C6H12O6

详细说明

Sigma Aldrich - 63962

Other Notes
Currently available only in Europe.
Application
L-Allose is a pure enantiomer that may be used with other aldose substrates such as D-lyxose, D-mannose, L-ribose, and D-talose to identify, differentiate and characterize aldose isomerase(s) and epimerase(s).