[(4R,6R)-2-[3-(6-Aminohexylamino)-3-Oxopropyl]-2-Methyl-6-(6-Oxo-3H-Purin-9-Yl)-3a,4,6,6a-Tetrahydrofuro[4,3-d][1,3]Dioxol-4-Yl]Methyl Dihydrogen Phosphate
[CAS# 75204-35-2]

Identification

• Name: [(4R,6R)-2-[3-(6-Aminohexylamino)-3-Oxopropyl]-2-Methyl-6-(6-Oxo-3H-Purin-9-Yl)-3a,4,6,6a-Tetrahydrofuro[4,3-d][1,3]Dioxol-4-Yl]Methyl Dihydrogen Phosphate
• Synonyms: [(4R,6R)-2-[3-(6-Aminohexylamino)-3-Oxo-Propyl]-2-Methyl-6-(6-Oxo-3H-Purin-9-Yl)-3A,4,6,6A-Tetrahydrofuro[4,3-D][1,3]Dioxol-4-Yl]Methyl Dihydrogen Phosphate; [(4R,6R)-2-[3-(6-Aminohexylamino)-3-Keto-Propyl]-6-(6-Keto-3H-Purin-9-Yl)-2-Methyl-3A,4,6,6A-Tetrahydrofuro[4,3-D][1,3]Dioxol-4-Yl]Methyl Dihydrogen Phosphate; 5'-Inosinic Acid, 2',3'-O-(4-((6-Aminohexyl)Amino)-1-Methyl-4-Oxobutylidene)-
• Molecular Formula: C₂₁H₃₃N₆O₉P
• Molecular Weight: 544.50
• CAS Registry Number: 75204-35-2
• SMILES: [C@H]1(O[C@@H](C2OC(OC12)(CCC(=O)NCCCCCCN)C)CO[P](O)(O)=O)[N]3C4=C(N=C3)C(=O)N=CN4
• InChI: 1S/C21H33N6O9P/c1-21(7-6-14(28)23-9-5-3-2-4-8-22)35-16-13(10-33-37(30,31)32)34-20(17(16)36-21)27-12-26-15-18(27)24-11-25-19(15)29/h11-13,16-17,20H,2-10,22H2,1H3,(H,23,28)(H,24,25,29)(H2,30,31,32)/t13-,16?,17?,20-,21?/m1/s1
• InChIKey: CVBURHMMTROINS-HOHKOTIPSA-N

Properties

• Density: 1.703g/cm³ (Cal.)