Orotidine
[CAS# 314-50-1]

Identification

• Name: Orotidine
• Synonyms: 3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-2,6-Dioxo-Pyrimidine-4-Carboxylic Acid; 3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-2,6-Dioxo-4-Pyrimidinecarboxylic Acid; 3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-2,6-Diketo-Pyrimidine-4-Carboxylic Acid
• Molecular Formula: C₁₀H₁₂N₂O₈
• Molecular Weight: 288.21
• CAS Registry Number: 314-50-1
• SMILES: [C@H]2(N1C(NC(=O)C=C1C(=O)O)=O)[C@@H]([C@H](O)[C@H](O2)CO)O
• InChI: 1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7-,8-/m1/s1
• InChIKey: FKCRAVPPBFWEJD-XVFCMESISA-N

Properties

• Density: 1.8±0.1g/cm³ (Cal.)

References

• (1): Yuen-Jen Wu, Chen-Chieh Liao, Cheng-Hung Jen, Yu-Chiao Shih and Tun-Cheng Chien. Chemical models and their mechanistic implications for the transformation of 6-cyanouridine 5′-monophosphate catalyzed by orotidine 5′-monophosphate decarboxylase, Chem. Commun., 2010, 46, 4821.