4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one

• ChemBase编号: 73285
• 分子式: C9H13N3O5
• 平均质量: 243.21662
• 单一同位素质量: 243.08552053
• SMILES: c1(=O)n(ccc(n1)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
• Canonical SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N
• InChI: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
• InChIKey: UHDGCWIWMRVCDJ-XVFCMESISA-N

名称和登记号

名称

• IUPAC标准名: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
• IUPAC传统名: cytidine
• 别名: 胞嘧啶核糖核苷; 胞嘧啶核苷; 胞苷; Cytidine; Cytidine; 4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one; Cytosine β-D-riboside; Cytosine-1-β-D-ribofuranoside

登记号

• CAS号: 65-46-3
• EC号: 200-610-9
• MDL号: MFCD00006545
• Beilstein号: 89173
• PubChem SID: 24892387; 24892710; 162038205
• PubChem CID: 6175
• CHEBI ID: 17562
• CHEMBL: 95606
• Chemspider ID: 5940
• KEGG ID: D07769
• 医学主题词(MeSH): Cytidine
• 美国药典/FDA物质标识码: 5CSZ8459RP
• 维基百科标题: Cytidine

理论计算性质

• Acid pKa: 12.553241
• 质子受体: 7
• 质子供体: 4
• LogD (pH = 5.5): -2.7975185
• LogD (pH = 7.4): -2.7975204
• Log P: -2.7975173
• 摩尔折射率: 54.5448 cm^3
• 极化性: 21.48729 Å^3
• 极化表面积: 128.61 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble50 mg/mL
• 外观: powder
• 熔点: 210-220 °C (dec.); 210-220 °C (dec.)(lit.)
• 比旋光度: [α]20/D +29±1°, c = 9% in H2O; [α]20/D +33°, c = 2 in H2O

安全信息

• 保存条件: -20°C
• RTECS编号: UW7370000
• 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: 2-8°C

药理学性质

• 相关基因信息: mouse ... Uck1(22245)

产品相关信息

• 纯度: ≥99%; ≥99.0% (HPLC); 99%
• 成盐信息: Free Base
• 适用性: suitable for cell culture
• 燃烧残渣: ≤0.1%
• Empirical Formula (Hill Notation): C9H13N3O5
• 分类: Genuine Natural Compounds

详细说明

Selleck Chemicals - S2053

Research Area: Metabolic Disease
Biological Activity:

Sigma Aldrich - C4654

Frequently Asked Questions
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Sigma Aldrich - C122106

包装
1 g in glass bottle
10, 100 g in poly bottle