sodium (3aR,4R,6R,6aR)-4-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-1,3,5,2λ5-furo[3,4-d][1,3,2λ5]dioxaphosphol-2-olate

• ChemBase编号: 132979
• 分子式: C9H11N3NaO7P
• 平均质量: 327.163071
• 单一同位素质量: 327.02323062
• SMILES: c1cn(c(=O)nc1N)[C@H]1[C@H]2[C@@H]([C@H](O1)CO)OP(=O)(O2)[O-].[Na+]
• Canonical SMILES: OC[C@H]1O[C@H]([C@H]2[C@@H]1OP(=O)(O2)[O-])n1ccc(nc1=O)N.[Na+]
• InChI: InChI=1S/C9H12N3O7P.Na/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7;/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14);/q;+1/p-1/t4-,6-,7-,8-;/m1./s1
• InChIKey: SQOIXCJUYWSZDW-IAIGYFSYSA-M

名称和登记号

名称

• IUPAC标准名: sodium (3aR,4R,6R,6aR)-4-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-1,3,5,2λ^5-furo[3,4-d][1,3,2λ^5]dioxaphosphol-2-olate
• IUPAC传统名: sodium 2',3'-cyclic cmp
• 别名: 环胞苷酸; Cytidine Cyclic 2',3'-(Hydrogen Phosphate) Sodium Salt; Cyclic(2',3')-CMP Sodium Salt; Cytidine 2',3'-Cyclic Phosphate Sodium Salt; NSC 238924; Sodium Cytidine-2',3'-cyclophosphate; Cytidine-2',3'-cyclic Monophosphate Sodium Salt; 2′,3′-Cyclic CMP monosodium salt; 2′,3′-cCMP; Cytidine 2′,3′-cyclophosphate sodium salt; Cytidine 2′:3′-cyclic mono-phos-phate monosodium salt; Cyclic cytidylic acid

登记号

• CAS号: 15718-51-1
• EC号: 239-813-2
• MDL号: MFCD00135656
• Beilstein号: 4086446
• PubChem SID: 162227256; 24893179
• PubChem CID: 23679069

理论计算性质

• Acid pKa: 1.7687207
• 质子受体: 7
• 质子供体: 2
• LogD (pH = 5.5): -4.382497
• LogD (pH = 7.4): -4.4007072
• Log P: -2.1239915
• 摩尔折射率: 60.517 cm^3
• 极化性: 24.769234 Å^3
• 极化表面积: 146.74 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

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; 2-8°C

产品相关信息

• 纯度: ≥96.0% (HPLC); 95-99%
• 杂质: ≤12% water
• Empirical Formula (Hill Notation): C9H11N3NaO7P

详细说明

Sigma Aldrich - C9630

Application
Cytidine 2′,3′-cyclic monophosphate (2′,3′-CyclicCMP) (2′,3′-cCMP) is used as a model substrate for kinetic analysis of various ribonucleases, especially ribonuclease A.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. C9630.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - 30275

Application
suitable as substrate for RNase A
Other Notes
Substrate for the assay of pancreatic ribonuclease (EC 3.1.27.5)1

Toronto Research Chemicals - C998320

Cytidine 2’,3’-Cyclic Monophosphate is a key compound in the enzymic synthesis of short oligoribonucleotides.

参考文献

• Tomasz, J., et al.: Nucleic Acid Chem., 2, 875 (1978)