5,6-Dichloro-1-[3,5-O-[(S)-Mercaptophosphinylidene]-beta-D-Ribofuranosyl]-1H-Benzimidazole
[CAS# 120912-54-1]

Identification

• Name: 5,6-Dichloro-1-[3,5-O-[(S)-Mercaptophosphinylidene]-beta-D-Ribofuranosyl]-1H-Benzimidazole
• Synonyms: (7R,8R)-7-(5,6-Dichloro-1-Benzimidazolyl)-5A,7,8,8A-Tetrahydro-5H-Furo[4,5-E][1,4,2,3]Dioxathiaphosphepine-5,8-Diol; 1H-Benzimidazole, 5,6-Dichloro-1-(3,5-O-(Mercaptophosphinylidene)-Beta-D-Ribofuranosyl)-, (S)-; 5,6-Dcl-Cbimps
• Molecular Formula: C₁₂H₁₁Cl₂N₂O₅PS
• Molecular Weight: 397.17
• CAS Registry Number: 120912-54-1
• SMILES: [C@H]4([N]1C=NC2=CC(=C(C=C12)Cl)Cl)[C@H](O)C3OPSOC(O)C3O4
• InChI: 1S/C12H11Cl2N2O5PS/c13-4-1-6-7(2-5(4)14)16(3-15-6)11-8(17)9-10(19-11)12(18)21-23-22-20-9/h1-3,8-12,17-18,22H/t8-,9?,10?,11-,12?,22?/m1/s1
• InChIKey: NCXQEYBSXYJLGP-SBTLNALPSA-N

Properties

• Boiling point: 653.938°C at 760 mmHg (Cal.)
• Flash point: 349.289°C (Cal.)