[(1R,2S,3S,4S,5R,6R)-4-[(2R,3S,4R,5S,6S)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy]-3,5-Dihydroxy-6-Sulfooxycyclohexyl] (2S)-2-Amino-3-Hydroxypropanoate
[CAS# 76174-56-6]

Identification

• Name: [(1R,2S,3S,4S,5R,6R)-4-[(2R,3S,4R,5S,6S)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy]-3,5-Dihydroxy-6-Sulfooxycyclohexyl] (2S)-2-Amino-3-Hydroxypropanoate
• Synonyms: [(1R,2S,3S,4S,5R,6R)-4-[(2R,3S,4R,5S,6S)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy]-3,5-Dihydroxy-6-Sulfooxy-Cyclohexyl] (2S)-2-Amino-3-Hydroxy-Propanoate; (2S)-2-Amino-3-Hydroxypropanoic Acid [(1R,2S,3S,4S,5R,6R)-4-[[(2R,3S,4R,5S,6S)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy]-3,5-Dihydroxy-6-Sulfooxycyclohexyl] Ester; (2S)-2-Amino-3-Hydroxy-Propionic Acid [(1R,2S,3S,4S,5R,6R)-4-[(2R,3S,4R,5S,6S)-3-Amino-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy]-3,5-Dihydroxy-6-Sulfoxy-Cyclohexyl] Ester
• Molecular Formula: C₂₅H₃₉N₇O₁₈S
• Molecular Weight: 757.68
• CAS Registry Number: 76174-56-6
• SMILES: [C@@H]3(CO[C@H]1[C@@H]([C@@H]([C@H]([C@H]([C@@H]1OC(=O)[C@@H](N)CO)O[S](O)(=O)=O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)CO)O)O)N)O)[C@@H](O)[C@@H](O)[C@@H](O3)[N]4C=NC5=C4N=CN=C5N
• InChI: 1S/C25H39N7O18S/c26-6(1-33)24(41)48-20-18(45-3-8-12(36)14(38)23(46-8)32-5-31-10-21(28)29-4-30-22(10)32)15(39)17(16(40)19(20)50-51(42,43)44)49-25-9(27)13(37)11(35)7(2-34)47-25/h4-9,11-20,23,25,33-40H,1-3,26-27H2,(H2,28,29,30)(H,42,43,44)/t6-,7-,8+,9-,11+,12+,13+,14+,15+,16+,17-,18-,19+,20+,23+,25+/m0/s1
• InChIKey: UXRHCHSWRDOIED-QVEOBRIHSA-N

Properties

• Density: 2.24g/cm³ (Cal.)