(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

• ChemBase编号: 102392
• 分子式: C10H13N5O3
• 平均质量: 251.24192
• 单一同位素质量: 251.1018393
• SMILES: n1c2c(ncnc2n(c1)[C@@H]1O[C@@H]([C@@H](O)C1)CO)N
• Canonical SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N
• InChI: InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
• InChIKey: OLXZPDWKRNYJJZ-RRKCRQDMSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
• IUPAC传统名: 2-deoxyadenosine
• 别名: 2′-Deoxyadenosine 一水合物; Deoxyadenosine; 9-(2-Deoxy-β-D-ribofuranosyl)adenine; Adenine deoxyriboside; 2′-Deoxyadenosine monohydrate; (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol; ADENINE DESOXYRIBOSIDE; Adenine Deoxyribonucleoside; Adenine Deoxyribose; Adenylriboside; 2'-Deoxyadenosine; 2'-DEOXYADENOSINE MONOHYDRATE

登记号

• CAS号: 16373-93-6; 958-09-8
• EC号: 213-488-7
• MDL号: MFCD00005754; MFCD00149364
• Beilstein号: 91015
• PubChem SID: 162088429; 24894129; 24894112
• PubChem CID: 13730; 636
• CHEBI ID: 17256
• CHEMBL: 416340
• Chemspider ID: 13135
• 医学主题词(MeSH): 2'-deoxyadenosine
• 美国药典/FDA物质标识码: P582C98ULC
• 维基百科标题: Deoxyadenosine

理论计算性质

• Acid pKa: 13.886734
• 质子受体: 7
• 质子供体: 3
• LogD (pH = 5.5): -1.3084757
• LogD (pH = 7.4): -1.1920376
• Log P: -1.1903259
• 摩尔折射率: 61.6849 cm^3
• 极化性: 23.860369 Å^3
• 极化表面积: 119.31 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

• 外观: powder
• 熔点: 187-189 °C
• 比旋光度: [α]20/D -25±1°, c = 0.5% in H2O

安全信息

• 保存条件: 0°C
• RTECS编号: AU7358600
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 22
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301
• GHS警示性声明: P301 + P310
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (HPLC); ≥99%; 97%; 98%; 98-100%
• 适用性: suitable for cell culture
• Empirical Formula (Hill Notation): C10H13N5O3 · H2O

详细说明

MP Biomedicals - 02101481

White crystalline powder
Purity: 98-100%
Hydrate

MP Biomedicals - 05212441

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D7400

包装
1, 5, 25 g in poly bottle
250, 500 mg in poly bottle
Application
2′-Deoxyadenosine (2′-dAdo), a deoxyribonucleoside, may be used by some cells as an energy source under energy stress conditions and to affect cAMP levels. 2′-dAdo is used in comparison studies of the functions of adenosine analogues on various biological processes.

Sigma Aldrich - 30920

Application
Hydrolysis product of DNA