[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-2-(phosphonooxymethyl)oxolan-3-yl]phosphonic acid

Systemtic Name: [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-2-(phosphonooxymethyl)oxolan-3-yl]phosphonic acid Openeye Name: [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl]phosphonic acid CAS Name: [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-(phosphonooxymethyl)-3-oxolanyl]phosphonic acid IUPAC Name: [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-(phosphonooxymethyl)oxolan-3-yl]phosphonic acid Traditional Name: [(2R,3R,4S,5R)-5-adenin-9-yl-3,4-dihydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl]phosphonic acid Formula: C10H15N5O10P2 MolecularWeight: 427.201122

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)(O)P(=O)(O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C10H15N5O10P2/c11-7-5-8(13-2-12-7)15(3-14-5)9-6(16)10(17,26(18,19)20)4(25-9)1-24-27(21,22)23/h2-4,6,9,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)(H2,21,22,23)/t4-,6+,9-,10+/m1/s1