[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)-4-oxidanyl-oxolan-3-yl] [(2R)-2,3-bis(oxidanyl)propyl] hydrogen phosphate

Systemtic Name: [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)-4-oxidanyl-oxolan-3-yl] [(2R)-2,3-bis(oxidanyl)propyl] hydrogen phosphate Openeye Name: [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)tetrahydrofuran-3-yl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate CAS Name: [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[(methylthio)methyl]-3-oxolanyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate IUPAC Name: [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methylsulfanylmethyl)oxolan-3-yl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate Traditional Name: [(2S,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-2-[(methylthio)methyl]tetrahydrofuran-3-yl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate Formula: C14H22N5O8PS MolecularWeight: 451.391941

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)OCC(CO)O

Isomeric SMILES

CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)OC[C@@H](CO)O

InChI

InChI=1S/C14H22N5O8PS/c1-29-4-8-11(27-28(23,24)25-3-7(21)2-20)10(22)14(26-8)19-6-18-9-12(15)16-5-17-13(9)19/h5-8,10-11,14,20-22H,2-4H2,1H3,(H,23,24)(H2,15,16,17)/t7-,8-,10-,11-,14-/m1/s1