[(3S,4S,5R)-6-[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]phosphonic acid

Systemtic Name: [(3S,4S,5R)-6-[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]phosphonic acid Openeye Name: [(3S,4S,5R)-6-[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]phosphonic acid CAS Name: [(3S,4S,5R)-6-[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-oxolanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]phosphonic acid IUPAC Name: [(3S,4S,5R)-6-[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]phosphonic acid Traditional Name: [(3S,4S,5R)-6-[(2R,3R,4R,5R)-2-adenin-9-yl-4-hydroxy-5-methylol-tetrahydrofuran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]phosphonic acid Formula: C15H22N5O11P MolecularWeight: 479.335841

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)OC4C(C(C(C(O4)P(=O)(O)O)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC4[C@@H]([C@@H]([C@@H](C(O4)P(=O)(O)O)O)O)O

InChI

InChI=1S/C15H22N5O11P/c16-11-5-12(18-2-17-11)20(3-19-5)13-10(6(22)4(1-21)29-13)30-14-8(24)7(23)9(25)15(31-14)32(26,27)28/h2-4,6-10,13-15,21-25H,1H2,(H2,16,17,18)(H2,26,27,28)/t4-,6-,7+,8-,9+,10-,13-,14?,15?/m1/s1