[(2R,3S,5R)-3-Hydroxy-5-[(8R)-8-Hydroxy-7,8-Dihydro-4H-Imidazo[5,4-d][1,3]Diazepin-3-Yl]Oxolan-2-Yl]Methyl Dihydrogen Phosphate
[CAS# 72490-67-6]

Identification

• Name: [(2R,3S,5R)-3-Hydroxy-5-[(8R)-8-Hydroxy-7,8-Dihydro-4H-Imidazo[5,4-d][1,3]Diazepin-3-Yl]Oxolan-2-Yl]Methyl Dihydrogen Phosphate
• Synonyms: [(2R,3S,5R)-3-Hydroxy-5-[(8R)-8-Hydroxy-7,8-Dihydro-4H-Imidazo[5,4-D][1,3]Diazepin-3-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,5R)-3-Hydroxy-5-[(8R)-8-Hydroxy-7,8-Dihydro-4H-Imidazo[5,4-D][1,3]Diazepin-3-Yl]-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; Imidazo(4,5-D)(1,3)Diazepin-8-Ol, 3-(2-Deoxy-5-O-Phosphono-Beta-D-Erythro-Pentofuranosyl)-3,4,7,8-Tetrahydro-, (R)-
• Molecular Formula: C₁₁H₁₇N₄O₇P
• Molecular Weight: 348.25
• CAS Registry Number: 72490-67-6
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO[P](=O)(O)O)[N]2C3=C(N=C2)[C@H](O)CN=CN3
• InChI: 1S/C11H17N4O7P/c16-6-1-9(22-8(6)3-21-23(18,19)20)15-5-14-10-7(17)2-12-4-13-11(10)15/h4-9,16-17H,1-3H2,(H,12,13)(H2,18,19,20)/t6-,7+,8+,9+/m0/s1
• InChIKey: NZYBWACXTRESTQ-JQCXWYLXSA-N

Properties

• Density: 2.061g/cm³ (Cal.)
• Boiling point: 768.659°C at 760 mmHg (Cal.)
• Flash point: 418.67°C (Cal.)