(3S,4R)-3,4,5-trihydroxypentanal

• ChemBase编号: 67226
• 分子式: C5H10O4
• 平均质量: 134.1305
• 单一同位素质量: 134.0579088
• SMILES: O=CC[C@H](O)[C@H](O)CO
• Canonical SMILES: O[C@H]([C@@H](CO)O)CC=O
• InChI: InChI=1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2/t4-,5+/m0/s1
• InChIKey: ASJSAQIRZKANQN-CRCLSJGQSA-N

名称和登记号

名称

• IUPAC标准名: (3S,4R)-3,4,5-trihydroxypentanal
• IUPAC传统名: deoxyribose
• 别名: 2-脱氧-D-赤戊糖; D-2-脱氧核糖; 胸腺糖; 2-脱氧-D-核糖; 2-Deoxy-D-erythro-pentose; Deoxyribose; 2-Deoxy-D-ribose; D-erythro-2-Deoxypentose; 2-Deoxy-D-arabinose; 2-Deoxy-D-erythropentose; Thyminose; 2-Deoxy-D-ribose; (3S,4R)-3,4,5-trihydroxypentanal

登记号

• CAS号: 533-67-5
• EC号: 208-573-0
• MDL号: MFCD00135904
• Beilstein号: 1721978
• PubChem SID: 162032962; 24847465; 24858851; 24893979
• PubChem CID: 5460005
• CHEBI ID: 28816
• Chemspider ID: 4573703
• 维基百科标题: Deoxyribose

理论计算性质

• Acid pKa: 11.596483
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -2.2228675
• LogD (pH = 7.4): -2.2228947
• Log P: -2.2228673
• 摩尔折射率: 30.0449 cm^3
• 极化性: 12.021338 Å^3
• 极化表面积: 77.76 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: Very soluble in water
• 外观: White solid
• 熔点: 83-86°C; 89-90 °C(lit.); 91°C
• 比旋光度: [α]20/D -56±2°, 24 hr, c = 1% in H2O; [α]22/D -59°, c = 1 in H2O
• 疏水性(logP): -1.416

安全信息

• 保存条件: 2-8°C
• 保存注意事项: IRRITANT
• RTECS编号: SB7230000
• 德国WGK号: 3
• TSCA收录: false
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥99.0% (TLC); 95%; 95+%; 97%
• 适用性: suitable for cell culture
• 燃烧残渣: ≤0.5% (as SO4)
• 干燥失重: ≤1% loss on drying, 20 °C (HV)
• Empirical Formula (Hill Notation): C5H10O4

详细说明

MP Biomedicals - 02150779

Crystalline

MP Biomedicals - 02194657

Cell Culture Reagent
Crystalline

Sigma Aldrich - D5899

包装
10 mg in autosmp vl

Sigma Aldrich - 31170

Application
2-Deoxy-D-ribose is used to study processes of oxidative stress and glycation in vivo and in vitro. 2-Deoxy-D-ribose, an endothelial-cell chemoattractant and angiogenesis-inducing factor, is used to study processes of tumor angiogenesis and progression mediated at the level of thymidine phosphorylase activity.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 31170.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - 121649

包装
1, 5 g in glass bottle
25 g in poly bottle