5,6-Dichloro-1-Ribofuranosylbenzimidazole 5'-Monophosphate
[CAS# 72586-79-9]

Identification

• Name: 5,6-Dichloro-1-Ribofuranosylbenzimidazole 5'-Monophosphate
• Synonyms: [(2R,3S,4R,5R)-5-(5,6-Dichlorobenzimidazol-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(5,6-Dichloro-1-Benzimidazolyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(5,6-Dichlorobenzimidazol-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₂H₁₃Cl₂N₂O₇P
• Molecular Weight: 399.12
• CAS Registry Number: 72586-79-9
• SMILES: [C@H]3([N]1C=NC2=CC(=C(C=C12)Cl)Cl)[C@H](O)[C@H](O)[C@H](O3)CO[P](=O)(O)O
• InChI: 1S/C12H13Cl2N2O7P/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(18)10(17)9(23-12)3-22-24(19,20)21/h1-2,4,9-12,17-18H,3H2,(H2,19,20,21)/t9-,10-,11-,12-/m1/s1
• InChIKey: SDRPYWMKLJILCQ-DDHJBXDOSA-N

Properties

• Density: 2.055g/cm³ (Cal.)
• Boiling point: 727.675°C at 760 mmHg (Cal.)
• Flash point: 393.884°C (Cal.)