[(2R,3S,4S)-5-(1,3-diketo-7,8-dimethyl-pyrido[4,3-b]quinoxalin-5-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
[CAS# 70805-82-2]

Identification

• Name: [(2R,3S,4S)-5-(1,3-diketo-7,8-dimethyl-pyrido[4,3-b]quinoxalin-5-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
• Synonyms: [(2R,3S,4S)-5-(7,8-Dimethyl-1,3-Dioxo-Pyrido[4,3-B]Quinoxalin-5-Yl)-2,3,4-Trihydroxy-Pentyl] Dihydrogen Phosphate; [(2R,3S,4S)-5-(7,8-Dimethyl-1,3-Dioxo-5-Pyrido[4,3-B]Quinoxalinyl)-2,3,4-Trihydroxypentyl] Dihydrogen Phosphate; [(2R,3S,4S)-5-(1,3-Diketo-7,8-Dimethyl-Pyrido[4,3-B]Quinoxalin-5-Yl)-2,3,4-Trihydroxy-Pentyl] Dihydrogen Phosphate
• Molecular Formula: C₁₈H₂₂N₃O₉P
• Molecular Weight: 455.36
• CAS Registry Number: 70805-82-2
• SMILES: [C@H](CN2C1=CC(NC(C1=NC3=C2C=C(C(=C3)C)C)=O)=O)([C@@H]([C@@H](CO[P](O)(O)=O)O)O)O
• InChI: 1S/C18H22N3O9P/c1-8-3-10-11(4-9(8)2)21(12-5-15(24)20-18(26)16(12)19-10)6-13(22)17(25)14(23)7-30-31(27,28)29/h3-5,13-14,17,22-23,25H,6-7H2,1-2H3,(H,20,24,26)(H2,27,28,29)/t13-,14+,17-/m0/s1
• InChIKey: MKGMHXIELMAMOW-VBQJREDUSA-N

Properties

• Density: 1.75g/cm³ (Cal.)