disodium (2R,3R,4R)-2,3,4-trihydroxy-5-(phosphonatooxy)pentanal dihydrate

• ChemBase编号: 138624
• 分子式: C5H13Na2O10P
• 平均质量: 310.104021
• 单一同位素质量: 310.00417181
• SMILES: C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)([O-])[O-].O.O.[Na+].[Na+]
• Canonical SMILES: O=C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O.O.O.[Na+].[Na+]
• InChI: InChI=1S/C5H11O8P.2Na.2H2O/c6-1-3(7)5(9)4(8)2-13-14(10,11)12;;;;/h1,3-5,7-9H,2H2,(H2,10,11,12);;;2*1H2/q;2*+1;;/p-2/t3-,4+,5-;;;;/m0..../s1
• InChIKey: ROFJYRUKQPRHKK-WFAHMUOKSA-L

名称和登记号

名称

• IUPAC标准名: disodium (2R,3R,4R)-2,3,4-trihydroxy-5-(phosphonatooxy)pentanal dihydrate
• IUPAC传统名: disodium dihydrate ribose 5-phosphate
• 别名: D-Ribose 5-phosphate disodium salt dihydrate

登记号

• CAS号: 207671-46-3
• MDL号: MFCD00149349
• PubChem SID: 162232876; 24888150; 24857554
• PubChem CID: 71310163

理论计算性质

• Acid pKa: 1.4910102
• 质子受体: 7
• 质子供体: 3
• LogD (pH = 5.5): -5.467744
• LogD (pH = 7.4): -6.3607407
• Log P: -3.0615916
• 摩尔折射率: 40.0126 cm^3
• 极化性: 17.13357 Å^3
• 极化表面积: 150.18 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble50 mg/mL, clear, colorless
• 比旋光度: [α]20/D +13.9°, c = 4 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: ≥99% (TLC); 95%
• 杂质: ≤5% solvent (ethanol, methanol); 7-15% water
• Empirical Formula (Hill Notation): C5H9Na2O8P · 2H2O

详细说明

Sigma Aldrich - 83875

Other Notes
For the synthesis of 5-phospho-D-ribosyl α-1-pyrophosphate1; Isolation of transketolase2
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 83875.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
包装
1 g in poly bottle
250 mg in poly tube
Application
D-Ribose 5-phosphate is used as a substrate to identify, differentiate and characterize ribose-5-phosphate isomerase(s) and phosphopentomutase(s). Ribose 5-phosphate is used to study the processes and effects of glycation in vivo and in vitro.

Sigma Aldrich - 292060

包装
250 mg in glass bottle