(2S)-2-[[5-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Oxolan-2-Yl]Imidazole-4-Carbonyl]Amino]-3-(Hydroxy-Nitrosoamino)Propanoic Acid
[CAS# 76573-09-6]

Identification

• Name: (2S)-2-[[5-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Oxolan-2-Yl]Imidazole-4-Carbonyl]Amino]-3-(Hydroxy-Nitrosoamino)Propanoic Acid
• Synonyms: (2S)-2-[[5-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Imidazole-4-Carbonyl]Amino]-3-(Hydroxy-Nitroso-Amino)Propanoic Acid; (2S)-2-[[[5-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)-2-Tetrahydrofuranyl]-4-Imidazolyl]-Oxomethyl]Amino]-3-(Hydroxy-Nitrosoamino)Propanoic Acid; (2S)-2-[[5-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Phosphonooxymethyl)Tetrahydrofuran-2-Yl]Imidazole-4-Carbonyl]Amino]-3-(Hydroxy-Nitroso-Amino)Propionic Acid
• Molecular Formula: C₁₂H₁₉N₆O₁₂P
• Molecular Weight: 470.29
• CAS Registry Number: 76573-09-6
• SMILES: [C@@H]1([C@H]([C@@H](O[C@@H]1CO[P](O)(=O)O)[N]2C(=C(N=C2)C(=O)N[C@@H](CN(N=O)O)C(=O)O)N)O)O
• InChI: 1S/C12H19N6O12P/c13-9-6(10(21)15-4(12(22)23)1-18(25)16-24)14-3-17(9)11-8(20)7(19)5(30-11)2-29-31(26,27)28/h3-5,7-8,11,19-20,25H,1-2,13H2,(H,15,21)(H,22,23)(H2,26,27,28)/t4-,5+,7+,8+,11+/m0/s1
• InChIKey: KFSXBUYKLBCYQW-LJRSMJOYSA-N

Properties

• Density: 2.268g/cm³ (Cal.)