Carboxyaminoimidazole Ribotide
[CAS# 6001-14-5]

Identification

• Name: Carboxyaminoimidazole Ribotide
• Synonyms: 5-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Imidazole-4-Carboxylic Acid; 5-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)-2-Tetrahydrofuranyl]-4-Imidazolecarboxylic Acid; 4-Carboxy-5-Aminoimidazole Ribonucleotide
• Molecular Formula: C₉H₁₄N₃O₉P
• Molecular Weight: 339.20
• CAS Registry Number: 6001-14-5
• SMILES: [C@H]2([N]1C=NC(=C1N)C(=O)O)[C@H](O)[C@H](O)[C@H](O2)CO[P](=O)(O)O
• InChI: 1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1
• InChIKey: XFVULMDJZXYMSG-ZIYNGMLESA-N

Properties

• Density: 2.304g/cm³ (Cal.)
• Boiling point: 865.875°C at 760 mmHg (Cal.)
• Flash point: 477.464°C (Cal.)