[(2R,3S,4R,5R)-5-[4-Carbamoyl-5-[[(3R,4R)-3,4-Dihydroxy-2-Oxo-5-Phosphonooxypentyl]Iminomethylamino]Imidazol-1-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl Dihydrogen Phosphate
[CAS# 36244-86-7]

Identification

• Name: [(2R,3S,4R,5R)-5-[4-Carbamoyl-5-[[(3R,4R)-3,4-Dihydroxy-2-Oxo-5-Phosphonooxypentyl]Iminomethylamino]Imidazol-1-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methyl Dihydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-[4-Carbamoyl-5-[[(3R,4R)-3,4-Dihydroxy-2-Oxo-5-Phosphonooxy-Pentyl]Iminomethylamino]Imidazol-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[4-Carbamoyl-5-[[(3R,4R)-3,4-Dihydroxy-2-Oxo-5-Phosphonooxypentyl]Iminomethylamino]-1-Imidazolyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-[4-Carbamoyl-5-[[(3R,4R)-3,4-Dihydroxy-2-Keto-5-Phosphonooxy-Pentyl]Iminomethylamino]Imidazol-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₅H₂₅N₅O₁₅P₂
• Molecular Weight: 577.33
• CAS Registry Number: 36244-86-7
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1[N]2C(=C(N=C2)C(=O)N)NC=NCC(=O)[C@H](O)[C@H](O)CO[P](O)(O)=O)CO[P](O)(O)=O
• InChI: 1S/C15H25N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,27,28,29)(H2,30,31,32)/t7-,8-,10+,11-,12-,15-/m1/s1
• InChIKey: BLKFNHOCHNCLII-GHVQHMAVSA-N

Properties

• Density: 2.171g/cm³ (Cal.)
• Boiling point: 1136.151°C at 760 mmHg (Cal.)
• Flash point: 640.921°C (Cal.)