(2S)-2-[[5-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Oxolan-2-Yl]Imidazole-4-Carbonyl]Amino]Butanedioic Acid
[CAS# 3031-95-6]

Identification

• Name: (2S)-2-[[5-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Oxolan-2-Yl]Imidazole-4-Carbonyl]Amino]Butanedioic Acid
• Synonyms: (2S)-2-[[5-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Imidazole-4-Carbonyl]Amino]Butanedioic Acid; (2S)-2-[[[5-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)-2-Tetrahydrofuranyl]-4-Imidazolyl]-Oxomethyl]Amino]Butanedioic Acid; (2S)-2-[[5-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Imidazole-4-Carbonyl]Amino]Succinic Acid
• Molecular Formula: C₁₃H₁₉N₄O₁₂P
• Molecular Weight: 454.29
• CAS Registry Number: 3031-95-6
• SMILES: [C@H](C(=O)O)(NC(=O)C1=C([N](C=N1)[C@H]2[C@H](O)[C@H](O)[C@H](O2)CO[P](=O)(O)O)N)CC(=O)O
• InChI: 1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4-,5+,8+,9+,12+/m0/s1
• InChIKey: NAQGHJTUZRHGAC-ZZZDFHIKSA-N

Properties

• Density: 2.2±0.1g/cm³ (Cal.)