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

• ChemBase编号: 132050
• 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-QRXFDPRISA-N

名称和登记号

名称

• IUPAC标准名: (3S,4S,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
• IUPAC传统名: L-gulopyranose
• 别名: L-(+)-Gulose; L-Gulose

登记号

• CAS号: 6027-89-0
• EC号: 227-897-3
• MDL号: MFCD00136022
• PubChem SID: 162226327; 24880019
• PubChem CID: 10130220

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 +23.0±2°, 24 hr, c = 0.5% in H2O

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (HPLC)
• Empirical Formula (Hill Notation): C6H12O6

详细说明

Sigma Aldrich - 56224

Application
L-(+)-Gulose, a rare aldohexose sugar C-3 epimer of galactose, is used in the development of various drugs and to glycosylate alginates. L-(+)-Gulose is a substrate of GDP-mannose 3′,5′-epimerase in plants and may be a precursor of L-ascorbic acid in plants.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 56224.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.