(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-[[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-butyl]amino]purin-9-yl]oxane-3,4,5-triol

Systemtic Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-[[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-butyl]amino]purin-9-yl]oxane-3,4,5-triol Openeye Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-[[3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butyl]amino]purin-9-yl]tetrahydropyran-3,4,5-triol CAS Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-[[3-methyl-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]butyl]amino]-9-purinyl]oxane-3,4,5-triol IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-[[3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]amino]purin-9-yl]oxane-3,4,5-triol Traditional Name: (2R,3S,4S,5R,6S)-2-methylol-6-[6-[[3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-butyl]amino]purin-9-yl]tetrahydropyran-3,4,5-triol Formula: C22H35N5O11 MolecularWeight: 545.5402

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=NC=NC2=C1N=CN2C3C(C(C(C(O3)CO)O)O)O)COC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

CC(CCNC1=NC=NC2=C1N=CN2[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C22H35N5O11/c1-9(6-36-22-18(35)16(33)14(31)11(5-29)38-22)2-3-23-19-12-20(25-7-24-19)27(8-26-12)21-17(34)15(32)13(30)10(4-28)37-21/h7-11,13-18,21-22,28-35H,2-6H2,1H3,(H,23,24,25)/t9?,10-,11-,13-,14-,15+,16+,17-,18-,21+,22+/m1/s1