5,6-Dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole
[CAS# 975-91-7]

Identification

• Name: 5,6-Dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole
• Synonyms: 5,6-dimethyl-1-(5-O-phosphono-α-D-ribofuranosyl)-1H-benzimidazole; 5,6-Dimethyl-1-α-D-ribofuranosylbenzimidazole 5'-phosphate; N(1)-(5-phosphoribosyl)-5,6-dimethylbenzimidazole
• Molecular Formula: C₁₄H₁₉N₂O₇P
• Molecular Weight: 358.28
• CAS Registry Number: 975-91-7
• SMILES: O=P(O)(O)OC[C@H]3O[C@H](n2cnc1cc(c(cc12)C)C)[C@H](O)[C@@H]3O
• InChI: 1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1
• InChIKey: ZMRGXEJKZPRBPJ-SYQHCUMBSA-N

Properties

• Density: 1.739g/cm³ (Cal.)
• Boiling point: 690.95°C at 760 mmHg (Cal.)
• Flash point: 371.674°C (Cal.)